SCHEMBL8358591

SCHEMBL8358591

Cc1ccc(N2CCCNS2(=O)=O)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 3/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
PER2 O15055 2/20 0.35
CRY1 Q16526 2/20 0.35
CRY2 Q49AN0 2/20 0.35
CCR1 P32246 1/20 0.34
CCR2 P41597 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
POLB P06746 1/20 0.33
ADRB1 P08588 1/20 0.33
P2RX7 Q99572 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15419810 0.79 CRY1 (0.40) PIK3C3ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL8358601 0.79 ADRB1 (0.42) PIK3C3ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL15419754 0.77 ALOX5 (0.44) PIK3C3ALDH1A1MAPTPER2CRY1
SCHEMBL8312434 0.77 POLB (0.49) POLBP2RX7TP53KCNH2
SCHEMBL8358602 0.72 PIK3C3 (0.42) PIK3C3SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL15420000 0.72 PTPN1 (0.47) PIK3C3ALDH1A1NPC1RAB9APER2
SCHEMBL16589339 0.71 PIK3C3 (0.36) PIK3C3KMT2AMEN1
SCHEMBL8305752 0.71 THRB (0.43) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL8358604 0.70 PIK3C3 (0.41) PIK3C3
SCHEMBL15419716 0.70 MEN1 (0.40) PIK3C3ALDH1A1SMN1; SMN2MAPTPER2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2017-02-23 US disclosed
US-20150210691-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-30 US disclosed
US-20140113892-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 US disclosed
US-8470854-B2 Lactam-containing compounds and derivatives thereof as factor XA inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-06-25 US disclosed
US-20120201816-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-09 US disclosed
US-8188120-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-29 US disclosed
US-20110212930-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-01 US disclosed
US-7960411-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
US-7960411-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
US-20100119510-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-13 US disclosed
US-20080090807-A1 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 3-(4-methoxy-phenyl)-5-[4-(2-oxo-2H-pyridin-1-yl)-phenyl]-3,5,6,7-tetrahydro-[1,2,3]triazolo4,5-c]pyridin-4-one; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-17 US disclosed
US-20080090807-A1 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 3-(4-methoxy-phenyl)-5-[4-(2-oxo-2H-pyridin-1-yl)-phenyl]-3,5,6,7-tetrahydro-[1,2,3]triazolo4,5-c]pyridin-4-one; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-17 US disclosed
US-7338963-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-04 US disclosed
US-7338963-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-04 US disclosed
US-20070135426-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135426-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
WO-2003026652-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120201816-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 PIK3C3 1776/4885ALDH1A1 3371/4885SMN1; SMN2 3271/4885
US-20150210691-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 PIK3C3 1634/4885ALDH1A1 3406/4885SMN1; SMN2 3212/4885
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD PIK3C3 1744/4885ALDH1A1 3204/4885SMN1; SMN2 2952/4885
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 PIK3C3 1776/4885ALDH1A1 3371/4885SMN1; SMN2 3271/4885
US-20110212930-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 PIK3C3 1776/4885ALDH1A1 3371/4885SMN1; SMN2 3271/4885
US-20100119510-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 PIK3C3 1776/4885ALDH1A1 3371/4885SMN1; SMN2 3271/4885
US-20140113892-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 PIK3C3 1634/4885ALDH1A1 3406/4885SMN1; SMN2 3212/4885
US-20080090807-A1 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 3-(4-methoxy-phenyl)-5-[4-(2-oxo-2H-pyridin-1-yl)-phenyl]-3,5,6,7-tetrahydro-[1,2,3]triazolo4,5-c]pyridin-4-one; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis PLAT, TFPI, SPINT2 PIK3C3 2301/4885ALDH1A1 2480/4885SMN1; SMN2 3200/4885
US-20070135426-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 PIK3C3 1634/4885ALDH1A1 3406/4885SMN1; SMN2 3212/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.