SCHEMBL335924

SCHEMBL335924

COc1ccccc1C(NC(=O)c1ccc(C(C)C)cc1)C(O)C(=O)Nc1ccc2[nH]c(N)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
STAT3 P40763 1/20 0.36
MAPT P10636 2/20 0.36
ROCK2 O75116 4/20 0.36
ROCK1 Q13464 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HDAC1 Q13547 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RORC P51449 1/20 0.36
HPSE Q9Y251 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MITF O75030 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL336996 0.88 MEN1 (0.44) CHEK2L3MBTL1SMN1; SMN2MAPTMEN1
SCHEMBL336065 0.87 PDE2A (0.40) CHEK2SMN1; SMN2MAPTHDAC1KCNK3
SCHEMBL335215 0.84 NR2E3 (0.44) CHEK2SMN1; SMN2MAPTHDAC1POLB
SCHEMBL335616 0.83 NR2E3 (0.38) SMN1; SMN2MAPTHDAC1ALDH1A1POLB
SCHEMBL335878 0.81 ABL1 (0.43) SMN1; SMN2MAPTHDAC1POLB
SCHEMBL336353 0.81 MAPT (0.43) SMN1; SMN2MAPTHDAC1RAB9APOLB
SCHEMBL335866 0.81 PDE2A (0.39) SMN1; SMN2MAPTROCK2MEN1KMT2A
SCHEMBL335611 0.80 F9 (0.42) CHEK2SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL335756 0.77 METAP2 (0.40) SMN1; SMN2STAT3MAPTROCK2MEN1
SCHEMBL335874 0.77 MAPT (0.39) SMN1; SMN2MAPTMEN1KMT2AHDAC1

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 CHEK2 3220/4885L3MBTL1 4626/4885SMN1; SMN2 4382/4885

“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.