SCHEMBL2054620

SCHEMBL2054620

CC(C)(C)c1ccc(NC(=O)OCc2ccccn2)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.73
RAB9A P51151 5/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
LMNA P02545 1/20 0.73
MAPT P10636 1/20 0.59
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ALDH1A1 P00352 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TRPV1 Q8NER1 4/20 0.51
MCL1 Q07820 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
POLB P06746 1/20 0.46
P2RY1 P47900 1/20 0.45
P2RY14 Q15391 1/20 0.45

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
SCHEMBL13657276 0.89 RAB9A (0.68) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL8202633 0.85 NPC1 (0.79) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL8211405 0.85 NPC1 (1.00) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL2056380 0.83 RAB9A (0.75) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL23483449 0.80 SMN1; SMN2 (0.75) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL10290171 0.78 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL2054657 0.77 MEN1 (0.71) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL20914376 0.77 RAB9A (0.73) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL16907894 0.76 RAB9A (0.64) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL13564630 0.76 NPC1 (0.68) NPC1RAB9ASMN1; SMN2LMNAMAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10173991-B2 Sulfone amide linked benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-08 US disclosed
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 US disclosed
US-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US disclosed
US-7842708-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US disclosed
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 US disclosed
US-20100016316-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-21 US disclosed
US-7626039-B2 Arylpropionamide, arylacrylamide, ayrlpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed
US-7626039-B2 Arylpropionamide, arylacrylamide, ayrlpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 US disclosed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 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 (6 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-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 NPC1 4529/4885RAB9A 2199/4885SMN1; SMN2 3489/4885
US-20100016316-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS F12, TFPI, F11 NPC1 4689/4885RAB9A 1667/4885SMN1; SMN2 3646/4885
US-10173991-B2 Sulfone amide linked benzothiazole inhibitors of endothelial lipase LIPG, LIPE, LPL NPC1 1808/4885RAB9A 4395/4885SMN1; SMN2 4515/4885
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 NPC1 2917/4885RAB9A 1183/4885SMN1; SMN2 4299/4885
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 NPC1 3616/4885RAB9A 1077/4885SMN1; SMN2 3646/4885
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 NPC1 4529/4885RAB9A 2199/4885SMN1; SMN2 3489/4885

“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.