SCHEMBL4952686

SCHEMBL4952686

CCCSCC(NC(=O)C(O)c1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.52
METAP1 P53582 2/20 0.52
ACE P12821 5/20 0.47
NAAA Q02083 2/20 0.47
CASP1 P29466 2/20 0.47
CASP3 P42574 2/20 0.47
CASP7 P55210 2/20 0.47
CASP8 Q14790 2/20 0.47
MME P08473 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 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
SCHEMBL4949292 0.92 NAAA (0.51) METAP2METAP1ACENAAACASP1
SCHEMBL4956720 0.89 ACE (0.49) ACENAAACASP1CASP3CASP7
SCHEMBL4949621 0.88 MME (0.49) METAP2METAP1NAAACASP1CASP3
SCHEMBL4957034 0.84 KEAP1 (0.49) ACENAAACASP1CASP3CASP7
SCHEMBL3901340 0.81 MME (0.63) ACENAAAMMEKEAP1NFE2L2
SCHEMBL3898655 0.81 MME (0.63) ACENAAAMMEKEAP1NFE2L2
SCHEMBL3913656 0.81 MME (0.63) ACENAAAMMEKEAP1NFE2L2
SCHEMBL3898657 0.81 MME (0.63) ACENAAAMMEKEAP1NFE2L2
SCHEMBL3906073 0.81 MME (0.63) ACENAAAMMEKEAP1NFE2L2
SCHEMBL4957031 0.81 METAP2 (0.48) METAP2METAP1NAAACASP1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20040175434-A1 Antimicrobial compositions NOVUS INTERNATIONAL, INC. 2004-09-09 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 (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 METAP2 2666/4885METAP1 3714/4885ACE 837/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 METAP2 3008/4885METAP1 2414/4885ACE 518/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 METAP2 3176/4885METAP1 1638/4885ACE 2720/4885

“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.