SCHEMBL4955422

SCHEMBL4955422

CCSCCC(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 1/20 0.53
CRHBP P24387 1/20 0.53
KMT2A Q03164 1/20 0.53
CRHR2 Q13324 1/20 0.53
CA2 P00918 4/20 0.52
CA1 P00915 2/20 0.52
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.46
FNTA P49354 1/20 0.45

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
SCHEMBL9830017 1.00 ALDH1A1 (0.53) ALDH1A1MEN1CRHBPKMT2ACRHR2
SCHEMBL4950132 0.90 CA2 (0.51) ALDH1A1MEN1CRHBPKMT2ACRHR2
SCHEMBL9831247 0.89 CA2 (0.53) ALDH1A1MEN1CRHBPKMT2ACRHR2
SCHEMBL9831597 0.89 CA2 (0.53) ALDH1A1MEN1KMT2ACA2CA1
SCHEMBL9831590 0.89 CA2 (0.53) ALDH1A1MEN1KMT2ACA2CA1
SCHEMBL9831250 0.89 CA2 (0.53) ALDH1A1MEN1CRHBPKMT2ACRHR2
SCHEMBL9829499 0.87 CA2 (0.55) ALDH1A1CA2CA1CA12CA9
SCHEMBL4956315 0.87 CA2 (0.53) ALDH1A1MEN1CRHBPKMT2ACRHR2
SCHEMBL9829504 0.87 CA2 (0.55) ALDH1A1CA2CA1CA12CA9
SCHEMBL9831941 0.87 TAS1R3 (0.56) ALDH1A1MEN1KMT2AUSP2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1036832-C Composition containing a penem or carbapenem artibiotic and the use of the same SANKYO CO (JP) 1997-12-31 CN claimed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP claimed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US claimed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP claimed
CN-86107574-A Compositions containing penem or carbapenem antibiotics and their use 1987-05-20 CN claimed
US-7465471-B2 Palatability of aquaculture feed NOVUS INTERNATIONAL, INC. (US) 2008-12-16 US disclosed
WO-2007147155-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-21 WO disclosed
US-20070292485-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-20 US disclosed
US-20050215623-A1 Palatability of aquaculture feed NOVUS INTERNATIONAL, INC. (US) 2005-09-29 US disclosed
EP-1531672-A2 ANTIMICROBIAL COMPOSITIONS Novus International, Inc. (US) 2005-05-25 EP disclosed
US-20040175434-A1 Antimicrobial compositions NOVUS INTERNATIONAL, INC. 2004-09-09 US disclosed
WO-2004019683-A2 ANTIMICROBIAL COMPOSITIONS NOVUS INTERNATIONAL, INC. (US) 2004-03-11 WO disclosed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 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-20070292485-A1 POLYOL ESTER COMPOUNDS PNLIP, ELOVL1, ELOVL5 ALDH1A1 679/4885MEN1 2064/4885CRHBP 1592/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 ALDH1A1 585/4885MEN1 3594/4885CRHBP 1067/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 ALDH1A1 2079/4885MEN1 2708/4885CRHBP 4278/4885

“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.