SCHEMBL3422728

SCHEMBL3422728

CCC(=O)Nc1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 15/20 0.55
MEN1 O00255 11/20 0.55
KMT2A Q03164 11/20 0.55
MAPT P10636 8/20 0.55
RAB9A P51151 8/20 0.55
HSD17B10 Q99714 8/20 0.55
ALOX15 P16050 7/20 0.55
NPC1 O15118 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
TP53 P04637 5/20 0.55
HTT P42858 4/20 0.55
USP2 O75604 2/20 0.55
POLB P06746 1/20 0.55
ADORA3 P0DMS8 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 2/20 0.53
PKM P14618 4/20 0.51
LMNA P02545 3/20 0.51

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
Hydrochloric Acid SCHEMBL28317066 0.98 GAA (0.54) GAAMEN1KMT2AMAPTRAB9A
SCHEMBL6464495 0.85 ADORA2A (0.56) GAAMEN1KMT2AMAPTRAB9A
SCHEMBL11199473 0.82 MEN1 (0.50) GAAMEN1KMT2AMAPTRAB9A
SCHEMBL11204255 0.81 MEN1 (0.49) GAAMEN1KMT2AMAPTRAB9A
SCHEMBL8853392 0.81 CASP3 (0.57) GAAMEN1KMT2AMAPTRAB9A
SCHEMBL9382436 0.81 GAA (0.51) GAAMEN1KMT2AMAPTRAB9A
SCHEMBL6237186 0.80 CETP (0.51) GAAMEN1KMT2AMAPTRAB9A
Acetic Acid SCHEMBL10585627 0.79 GAA (0.49) GAAMEN1KMT2AMAPTRAB9A
SCHEMBL21067510 0.78 GAA (0.49) GAAMEN1KMT2AMAPTRAB9A
SCHEMBL3091207 0.78

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4555547-B2 2010-10-06 JP claimed
JP-2004505977-A 2004-02-26 JP claimed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP claimed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO claimed
CN-105039361-B Carbonyl reduction enzyme gene, codase, carrier, bacterial strain and application 浙江工业大学 2019-08-30 CN disclosed
US-20090247734-A1 Chemically Derivatized CD4 and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-01 US disclosed
WO-2006007700-A1 HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 WO disclosed
EP-0078860-A1 New 5-(N-alkyl-N-acyl-amino)-thiophen-2-carboxylic acid derivatives, process for producing the same and pharmaceutical compounds containing the same A. Nattermann & Cie. GmbH (DE) 1983-05-18 EP disclosed
US-4349686-A 5-(N-Alkyl-N-acyl-amino)-thiophen-2-carboxylic acid derivatives A. NATTERMANN & CIE GMBH (DE) 1982-09-14 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-20090247734-A1 Chemically Derivatized CD4 and Uses Thereof CD4, CD40LG, CD14 GAA 3966/4885MEN1 4376/4885KMT2A 4046/4885

“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.