SCHEMBL6479259

SCHEMBL6479259

N#CC(Cl)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.49
ENPEP Q07075 1/20 0.49
ALDH1A1 P00352 3/20 0.46
FOLH1 Q04609 4/20 0.44
ACACB O00763 1/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
NR4A1 P22736 1/20 0.42
APEX1 P27695 1/20 0.42
APOBEC3A P31941 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL11577215 0.86 CTSC (0.36) ANPEPENPEPALDH1A1ACACBKMT2A
SCHEMBL27598421 0.79 ANPEP (0.56) ANPEPENPEPALDH1A1FOLH1ACACB
SCHEMBL2294263 0.79 ALDH1A1 (0.50) ANPEPENPEPALDH1A1FOLH1ACACB
SCHEMBL9404074 0.77 CYP1A2 (0.45) ANPEPALDH1A1
SCHEMBL11567658 0.76 ALDH1A1 (0.46) ALDH1A1TP53KMT2AKDM4EMEN1
SCHEMBL27751805 0.76 ANPEP (0.62) ANPEPENPEPALDH1A1FOLH1ACACB
SCHEMBL7132237 0.74 ANPEP (0.51) ANPEPENPEPALDH1A1FOLH1ACACB
SCHEMBL11133642 0.73 ALDH1A1 (0.41) ALDH1A1TSHRKMT2AMEN1MAPT
SCHEMBL11565407 0.73 CYP1A2 (0.41) ALDH1A1KMT2AMEN1APEX1DPP4
SCHEMBL11565761 0.73 TRPA1 (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2DPP4

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
CN-1612868-A Ethylene derivative and use as phophatidase YANG JI CHEMICAL COMPANY LTD (KR) 2005-05-04 CN disclosed
US-20050075345-A1 Novel inhibitor compounds specific of secreted non-pancreatic human a<sb>2</sb>phospholipase of group II YANG JI CHEMICAL COMPANY LTD. (KR) 2005-04-07 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-4105653-A HETERYL-AZO-PHENYL DISPERSE DYESTUFFS CONTAINING A Z-SUBSTITUTED BENZOLYLOXYALKYL RADICAL, WHEREIN Z IS 2-CYANOVINYL 2-CYANOETHYL OR 2-CHLORO-2-CYANOETHYL PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-08-08 US disclosed
US-3987027-A DISPERSE AZO DYES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-10-19 US 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-20050075345-A1 Novel inhibitor compounds specific of secreted non-pancreatic human a<sb>2</sb>phospholipase of group II AMY2A, PNLIP, IAPP ANPEP 139/4885ENPEP 181/4885ALDH1A1 3782/4885

“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.