SCHEMBL335893

SCHEMBL335893

CC(C)c1ccc(C(=O)NC(c2ccc(C(F)(F)F)cc2)C(O)C(=O)Nc2ccc3nc(N)sc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.49
EPHX2 P34913 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
SCN4A P35499 2/20 0.43
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MCHR1 Q99705 2/20 0.41
GPR183 P32249 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
PTGES O14684 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
LCK P06239 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
SCHEMBL335590 0.91 NPC1 (0.50) KITEPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL335375 0.89 KIT (0.45) KITEPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL336153 0.86 EPHX2 (0.47) KITEPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL334997 0.86 KIT (0.46) KITEPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL335307 0.84 SMN1; SMN2 (0.47) KITEPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL335326 0.83 PDE2A (0.44) SMN1; SMN2MAPTMCHR1
SCHEMBL8218636 0.82 NPC1 (0.46) KITEPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL336282 0.82 KIT (0.46) KITNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL335836 0.80 F9 (0.49)
SCHEMBL335151 0.78 NPC1 (0.48) KITEPHX2NPC1RAB9ASMN1; 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 3674/4885EPHX2 3159/4885NPC1 2621/4885

“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.