SCHEMBL2327397

SCHEMBL2327397

COC(=O)c1ccccc1C(=O)N[C@@H](CCSC)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 2/20 0.53
CA2 P00918 2/20 0.51
CA1 P00915 1/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
FNTA P49354 2/20 0.51
FNTB P49356 2/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL2327402 1.00 ALDH1A1 (0.53) ALDH1A1NPSR1KMT2ACA2CA1
SCHEMBL2326068 0.89 ALDH1A1 (0.53) ALDH1A1NPSR1KMT2ACA2CA1
SCHEMBL2326073 0.89 ALDH1A1 (0.53) ALDH1A1NPSR1KMT2ACA2CA1
SCHEMBL2329886 0.88 ALDH1A1 (0.56) ALDH1A1NPSR1CA2CA1USP2
SCHEMBL2329890 0.88 ALDH1A1 (0.56) ALDH1A1NPSR1CA2CA1USP2
SCHEMBL2334449 0.86 FNTA (0.55) ALDH1A1NPSR1CA2CA1USP2
SCHEMBL2334454 0.86 FNTA (0.55) ALDH1A1NPSR1CA2CA1USP2
SCHEMBL2327144 0.86 KMT2A (0.66) ALDH1A1NPSR1KMT2AFNTAFNTB
SCHEMBL2327147 0.86 KMT2A (0.66) ALDH1A1NPSR1KMT2AFNTAFNTB
SCHEMBL2326573 0.84 ALDH1A1 (0.53) ALDH1A1NPSR1CA2CA1USP2

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 ALDH1A1 2655/4885NPSR1 2477/4885KMT2A 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.