SCHEMBL2326786

SCHEMBL2326786

CCCCOc1ccccc1C(=O)N[C@@H](CCSC)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
TP53 P04637 1/20 0.48
FOLH1 Q04609 1/20 0.47

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
SCHEMBL2326789 1.00 RAB9A (0.53) RAB9AKMT2AALDH1A1FNTAFNTB
SCHEMBL2328761 0.94 FNTA (0.55) RAB9AKMT2AALDH1A1FNTAFNTB
SCHEMBL2328766 0.94 FNTA (0.55) RAB9AKMT2AALDH1A1FNTAFNTB
SCHEMBL2324014 0.90 RAB9A (0.53) RAB9AKMT2AALDH1A1NPSR1
SCHEMBL2324006 0.90 RAB9A (0.53) RAB9AKMT2AALDH1A1NPSR1
SCHEMBL12983793 0.84 ALDH1A1 (0.55) KMT2AALDH1A1NPSR1TP53FOLH1
SCHEMBL2327144 0.84 KMT2A (0.66) RAB9AKMT2AALDH1A1FNTAFNTB
SCHEMBL2327147 0.84 KMT2A (0.66) RAB9AKMT2AALDH1A1FNTAFNTB
SCHEMBL2324537 0.84 ALDH1A1 (0.53) KMT2AALDH1A1NPSR1TP53FOLH1
SCHEMBL3857432 0.82 KMT2A (0.54) RAB9AKMT2AALDH1A1FNTAFNTB

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 RAB9A 4160/4885KMT2A 3153/4885ALDH1A1 2655/4885

“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.