SCHEMBL2328097

SCHEMBL2328097

CCCC(=O)c1cccc(C(=O)N[C@@H](CCSC)C(=O)O)c1OC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.49
FNTB P49356 5/20 0.49
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 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
SCHEMBL2327003 0.86 FNTA (0.52) FNTAFNTBKMT2AALDH1A1NPSR1
SCHEMBL2327000 0.86 FNTA (0.52) FNTAFNTBKMT2AALDH1A1NPSR1
SCHEMBL2333701 0.85 TAS1R3 (0.40) FNTAFNTBKMT2ACA2CA12
SCHEMBL2330407 0.81 USP2 (0.39) FNTAFNTBKMT2ACA2USP2
SCHEMBL2327147 0.78 KMT2A (0.66) FNTAFNTBKMT2AALDH1A1NPSR1
SCHEMBL2327144 0.78 KMT2A (0.66) FNTAFNTBKMT2AALDH1A1NPSR1
SCHEMBL2329702 0.77 TAS1R3 (0.40) FNTAFNTBKMT2ACA2CA12
SCHEMBL2326573 0.77 ALDH1A1 (0.53) FNTAFNTBALDH1A1NPSR1CA2
SCHEMBL2327402 0.77 ALDH1A1 (0.53) FNTAFNTBKMT2AALDH1A1NPSR1
SCHEMBL2327397 0.77 ALDH1A1 (0.53) FNTAFNTBKMT2AALDH1A1NPSR1

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
EP-2356979-B1 ANTI-WRINKLE AGENTS POLA CHEM IND INC (JP) 2017-10-25 EP disclosed
EP-3173063-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2017-05-31 EP disclosed
US-8835498-B2 Anti-wrinkle agents POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-16 US disclosed
US-20110245343-A1 ANTI-WRINKLE AGENTS POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 US disclosed
EP-2356979-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2011-08-17 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 (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-20110245343-A1 ANTI-WRINKLE AGENTS GLA, H1-4, H1-3 FNTA 4644/4885FNTB 4431/4885KMT2A 3153/4885

“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.