SCHEMBL1996248

SCHEMBL1996248

COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(I)cc2)CC3)cc1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.76
PDE4A P27815 3/20 0.59
PDE4B Q07343 3/20 0.59
PDE4C Q08493 3/20 0.59
PDE4D Q08499 3/20 0.59
F2 P00734 2/20 0.58

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
SCHEMBL6109820 0.88 F10 (0.70) F10PDE4APDE4BPDE4CPDE4D
SCHEMBL1994271 0.87 F10 (0.70) F10PDE4APDE4BPDE4CPDE4D
SCHEMBL5644187 0.86 F10 (1.00) F10F2
SCHEMBL5644520 0.86 F10 (0.67) F10
SCHEMBL5646893 0.85 F10 (0.83) F10F2
SCHEMBL1999802 0.85 PDE4A (0.66) F10PDE4APDE4BPDE4CPDE4D
SCHEMBL4593475 0.84 F10 (0.66) F10PDE4APDE4BPDE4CPDE4D
SCHEMBL1994126 0.84 F10 (0.66) F10PDE4APDE4BPDE4CPDE4D
SCHEMBL4593373 0.84 F10 (0.66) F10PDE4APDE4BPDE4CPDE4D
SCHEMBL5644575 0.84 F10 (1.00) F10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 US disclosed
CN-110894196-A Lactam-containing compounds and derivatives thereof as factor Xa inhibitors 百时美-施贵宝控股爱尔兰无限公司 2020-03-20 CN disclosed
US-20180244673-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-08-30 US disclosed
US-9975891-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-22 US disclosed
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-20050267097-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 2005-12-01 US disclosed
US-20050261287-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-11-24 US disclosed
US-6967208-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-22 US disclosed
US-6949550-B2 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 US disclosed
US-20050171085-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-08-04 US disclosed
US-20050124602-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-09 US disclosed
US-6750225-B2 ANTICOAGULANTS BRISTOL-MYERS SQUIBB PHARMS COMPANY 2004-06-15 US disclosed
US-20030212054-A1 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-11-13 US disclosed
US-20030191115-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-10-09 US disclosed
US-20020177713-A1 1,4,5,6-tetrahydropyrazolo-[3,4,-c]-pyridin-7-ones useful as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-28 US 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 (13 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-20180244673-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 F10 45/4885PDE4A 1122/4885PDE4B 1340/4885
US-20030212054-A1 Substituted amino methyl factor Xa inhibitors F11, F10, F9 F10 2/4885PDE4A 1745/4885PDE4B 1971/4885
US-20120201816-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 F10 45/4885PDE4A 1122/4885PDE4B 1340/4885
US-20020177713-A1 1,4,5,6-tetrahydropyrazolo-[3,4,-c]-pyridin-7-ones useful as factor Xa inhibitors SERPINC1, SERPINE1, F11 F10 31/4885PDE4A 2491/4885PDE4B 2144/4885
US-20150210691-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 F10 43/4885PDE4A 1241/4885PDE4B 1454/4885
US-20050261287-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors F12, F2, CPB1 F10 45/4885PDE4A 1122/4885PDE4B 1340/4885
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 F10 45/4885PDE4A 1122/4885PDE4B 1340/4885
US-20050124602-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors F12, F2, CPB1 F10 43/4885PDE4A 1241/4885PDE4B 1454/4885
US-20050267097-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, F2, TFPI F10 62/4885PDE4A 2706/4885PDE4B 3116/4885
US-20050171085-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors F12, F2, CPB1 F10 45/4885PDE4A 1122/4885PDE4B 1340/4885
US-20140113892-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 F10 43/4885PDE4A 1241/4885PDE4B 1454/4885
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 F10 43/4885PDE4A 1241/4885PDE4B 1454/4885
US-20030191115-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors PEPD, HABP2, CPB1 F10 33/4885PDE4A 1937/4885PDE4B 1846/4885

“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.