SCHEMBL335950

SCHEMBL335950

CCOc1cccc(C(NC(=O)c2ccc(C(C)C)cc2)C(O)C(=O)Nc2ccc3nc(N)[nH]c3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 3/20 0.41
F3 P13726 1/20 0.41
ALDH1A1 P00352 1/20 0.41
F9 P00740 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ROCK1 Q13464 2/20 0.38
ROCK2 O75116 1/20 0.38
DYRK3 O43781 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 1/20 0.38
AKT2 P31751 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL336055 0.90 MAPT (0.46) F7F3ALDH1A1F9NPC1
SCHEMBL335396 0.88 F7 (0.44) F7F3ALDH1A1F9NPC1
SCHEMBL335874 0.87 MAPT (0.39) F7F9RAB9APOLBDGAT1
SCHEMBL335878 0.87 ABL1 (0.43) F7F3F9POLBMAPT
SCHEMBL336353 0.87 MAPT (0.43) F7F3F9RAB9APOLB
SCHEMBL335611 0.86 F9 (0.42) F7ALDH1A1F9RAB9APOLB
SCHEMBL336282 0.85 KIT (0.46) ALDH1A1NPC1RAB9APOLBSENP7
SCHEMBL335870 0.83 F9 (0.47) F7F3ALDH1A1F9NPC1
SCHEMBL337002 0.83 MAPT (0.41) F7F9POLBMAPTSMN1; SMN2
SCHEMBL335215 0.83 NR2E3 (0.44) F7F3F9POLBDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069289-B1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2013-10-02 EP claimed
US-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US claimed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US claimed
CN-101516834-A Isoserine derivatives for use as coagulation factor ixa inhibitors SANOFI AVENTIS (FR) 2009-08-26 CN claimed
EP-2069289-B1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2013-10-02 EP disclosed
CN-1359423-A Herbicide resistant plants HINZENTA CO LTD (GB) 2002-07-17 CN 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 (1 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-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, F2, F9 F7 6/4885F3 18/4885ALDH1A1 3166/4885

“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.