SCHEMBL9430732

SCHEMBL9430732

Cc1c(N)csc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 7/20 0.44
TDP1 Q9NUW8 3/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.41
PKM P14618 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
DAO P14920 2/20 0.38
GSK3B P49841 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
AXL P30530 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
SCHEMBL17678405 0.83 KDM4E (0.37) GPR35TDP1POLBL3MBTL1KDM4E
SCHEMBL16212934 0.78 KDM4E (0.49) TDP1POLBKDM4EPKMMEN1
SCHEMBL5154551 0.77 ALDH1A1 (0.49) GPR35TDP1POLBL3MBTL1KDM4E
SCHEMBL3836429 0.77 POLB (0.55) GPR35TDP1POLBL3MBTL1KDM4E
SCHEMBL14100164 0.76 ALDH1A1 (0.40) GPR35TDP1POLBL3MBTL1KDM4E
SCHEMBL2808786 0.76 GSK3B (0.50) GPR35TDP1POLBL3MBTL1KDM4E
SCHEMBL27363412 0.76 GPR35 (0.46) GPR35TDP1POLBL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL7810688 0.76 POLB (0.53) GPR35TDP1POLBL3MBTL1KDM4E
SCHEMBL321098 0.76 GPR35 (0.60) GPR35TDP1POLBL3MBTL1KDM4E
SCHEMBL10514890 0.74 GPR35 (0.44) GPR35TDP1POLBL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016265-A1 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 US disclosed
US-9809582-B2 Aminoester derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2017-11-07 US disclosed
US-20160326147-A1 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2016-11-10 US disclosed
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands SCHERING CORPORATION (US) 2011-09-01 US disclosed
CN-101279927-A Arylene-carboxylic acid (2-amino-phenyl)-amide derivatives as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-10-08 CN disclosed
CN-1723192-A Arylene-carboxylic acid (2-amino-phenyl) -amide derivatives as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2006-01-18 CN disclosed
US-5310752-A Distamycin A analogs; antitumor agents, viricides FARMITALIA CARLO ERBA SPA (IT) 1994-05-10 US disclosed
EP-0246868-B1 SITE SPECIFIC ALKYLATING AGENTS FARMITALIA CARLO ERBA S.r.l. (IT) 1992-09-16 EP disclosed
US-5049579-A Antitumor, viricides FARMITALIA CARLO ERBA, S.R.L. (IT) 1991-09-17 US disclosed
US-5017599-A Antitumor, antiviral distamycin A analog FARMITALIA CARLO ERBA, SPA (IT) 1991-05-21 US disclosed
EP-0246868-A1 Site specific alkylating agents FARMITALIA CARLO ERBA S.r.l. (IT) 1987-11-25 EP 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 (3 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-20180016265-A1 AMINOESTER DERIVATIVES PDE4A, PDE3A, PDE3B GPR35 534/4885TDP1 540/4885POLB 1629/4885
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands CCR1, ACKR3, CXCR1 GPR35 144/4885TDP1 4014/4885POLB 2094/4885
US-20160326147-A1 AMINOESTER DERIVATIVES PDE4A, PDE3A, PDE3B GPR35 534/4885TDP1 540/4885POLB 1629/4885

“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.