SCHEMBL4404656

SCHEMBL4404656

C#Cc1ccsc1C(=O)O.c1cc2ccc1-2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.43
GPR35 Q9HC97 2/20 0.42
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
AXL P30530 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
BCAT2 O15382 1/20 0.36
PTPRC P08575 2/20 0.36
DAO P14920 1/20 0.35
ABCC1 P33527 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.34
PTPRG P23470 1/20 0.34

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
SCHEMBL22031739 0.94 GPR35 (0.46) GPR35PTPN2PTPN1AXLLMNA
SCHEMBL4407689 0.86 RORB (0.45) DHODHGPR35PTPN2PTPN1AXL
SCHEMBL4949422 0.75 LMNA (0.43) GPR35PTPN2PTPN1AXLLMNA
SCHEMBL16863077 0.73 KMT2A (0.50) LMNANPSR1KMT2AMEN1NPC1
SCHEMBL7082769 0.71 RORB (0.41) LMNANPSR1KMT2AMEN1BCAT2
SCHEMBL4398553 0.68 ABCC1 (0.46) DHODHGPR35PTPN2PTPN1AXL
SCHEMBL3747018 0.68 ERN1 (0.30)
SCHEMBL159280 0.67
SCHEMBL1031987 0.67 DHODH (0.43) DHODHPTPN2PTPN1AXLLMNA
SCHEMBL10862218 0.66 GSK3B (0.57) PTPN2PTPN1AXLLMNANPSR1

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-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 US disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 WO 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 (2 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-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 DHODH 1530/4885GPR35 378/4885PTPN2 3941/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 DHODH 1530/4885GPR35 378/4885PTPN2 3941/4885

“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.