SCHEMBL336282

SCHEMBL336282

CCOc1cccc(C(NC(=O)c2ccc(C(C)C)cc2)C(O)C(=O)Nc2ccc3nc(N)sc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.46
MAPT P10636 5/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CSNK1D P48730 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SENP7 Q9BQF6 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL335678 0.90 MAPT (0.46) KITMAPTLMNAALDH1A1TP53
SCHEMBL334997 0.87 KIT (0.46) KITMAPTLMNAALDH1A1TP53
SCHEMBL335590 0.87 NPC1 (0.50) KITMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL335950 0.85 F7 (0.41) MAPTALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL335870 0.83 F9 (0.47) ALDH1A1NPC1RAB9ASENP7POLB
SCHEMBL336153 0.83 EPHX2 (0.47) KITMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL335307 0.83 SMN1; SMN2 (0.47) KITMAPTLMNAALDH1A1TP53
SCHEMBL335893 0.82 KIT (0.49) KITMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL336521 0.79 NPC1 (0.45) KITMAPTLMNAALDH1A1TP53
SCHEMBL8218636 0.79 NPC1 (0.46) KITMAPTLMNAALDH1A1SMN1; SMN2

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 8 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-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS Sanofi-Aventis (FR) 2009-06-17 EP claimed
WO-2008031509-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI-AVENTIS (FR) 2008-03-20 WO 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 KIT 3674/4885MAPT 3998/4885LMNA 2062/4885

“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.