SCHEMBL335959

SCHEMBL335959

CCN(CC)c1ccc(C(=O)NC(c2cccs2)C(O)C(=O)Nc2ccc3nc(N)[nH]c3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.41
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 4/20 0.41
POLB P06746 4/20 0.41
KMT2A Q03164 4/20 0.41
APAF1 O14727 2/20 0.41
PPARG P37231 1/20 0.41
RECQL P46063 1/20 0.41
SMAD3 P84022 1/20 0.41
PTK2B Q14289 1/20 0.41
ESR2 Q92731 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
RAB9A P51151 6/20 0.40
TP53 P04637 4/20 0.40
HSD17B10 Q99714 4/20 0.40
NPC1 O15118 4/20 0.40
KLK7 P49862 1/20 0.40

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
SCHEMBL335484 0.88 MAPT (0.43) MAPTSMN1; SMN2NR2E3IKBKBCHEK2
SCHEMBL335191 0.86 MAPT (0.45) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL337002 0.86 MAPT (0.41) MAPTSMN1; SMN2POLBNR2E3IKBKB
SCHEMBL335848 0.85 MCHR1 (0.42) MAPTSMN1; SMN2IKBKBF9F7
SCHEMBL335968 0.85 MAPT (0.41) MAPTSMN1; SMN2POLBKMT2ARAB9A
SCHEMBL335524 0.85 NR2E3 (0.43) MAPTSMN1; SMN2KMT2ANR2E3IKBKB
SCHEMBL335555 0.85 MAPT (0.39) MAPTSMN1; SMN2POLBKMT2ANR2E3
SCHEMBL335303 0.85 MAPT (0.40) MAPTSMN1; SMN2POLBIKBKBF9
SCHEMBL336687 0.85 MAPT (0.39) MAPTALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL336083 0.84 F9 (0.41) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A

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 5 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
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 MAPT 3998/4885ALDH1A1 3166/4885SMN1; 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.