SCHEMBL4685293

SCHEMBL4685293

Cc1cccc(CC([NH])=O)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.57
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.48
TAAR1 Q96RJ0 2/20 0.47
IDO1 P14902 2/20 0.46
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
MAPK8 P45983 1/20 0.46
MAOB P27338 2/20 0.45
MMP13 P45452 1/20 0.44

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
SCHEMBL29635163 0.83 CTBP2 (0.61) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL7073775 0.83 CTBP2 (0.61) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL504093 0.82 CTBP2 (0.64) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL29407189 0.82 CTBP2 (0.64) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL2532630 0.82 CTBP2 (0.64) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL1259064 0.82 CTBP2 (0.59) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL1699683 0.82 CTBP2 (0.59) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL24458263 0.80 CTBP2 (0.57) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL726784 0.80 CTBP2 (0.57) CTBP2POLBL3MBTL1NPC1TAAR1
Ammonia Solution, Strong SCHEMBL22042028 0.80 CTBP2 (0.62) CTBP2POLBL3MBTL1NPC1TAAR1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
EP-1085009-B1 INDAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2004-11-10 EP disclosed
EP-0934296-B1 CHROMAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2003-06-04 EP disclosed
US-6486178-B1 Indane derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-26 US disclosed
EP-1085009-A1 INDAN DERIVATIVES Nissan Chemical Industries, Ltd. (JP) 2001-03-21 EP disclosed
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-6066631-A Chroman derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 US disclosed
US-4301280-A Preparation of 3-substituted cephalosporins LILLY INDUSTRIES LIMITED (GB) 1981-11-17 US disclosed
US-4176231-A Process for preparing 3-exomethylenecepham sulfoxides LILLY INDUSTRIES LIMITED (GB) 1979-11-27 US disclosed
US-4159266-A AZETIDINONE SULFINIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1979-06-26 US disclosed
US-4052387-A METHOD OF PREPARATION OF 3-METHYLENECEPHAMS ELI LILLY AND COMPANY (US) 1977-10-04 US disclosed
US-4048163-A Process for preparation of 7-alkoxy-3-chloromethylcephems ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed
US-4048160-A Process for preparation of 7-alkoxy-3-bromomethylcephems ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed
US-4042585-A Process for preparation of 3-halomethylcephems ELI LILLY AND COMPANY (US) 1977-08-16 US disclosed
US-4038275-A PROCESS FOR PREPARATION OF 3-HYDROXYMETHYLCEPHEMS ELI LILLY AND COMPANY (US) 1977-07-26 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 (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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 CTBP2 956/4885POLB 626/4885L3MBTL1 2013/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 CTBP2 1195/4885POLB 637/4885L3MBTL1 2096/4885

“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.