SCHEMBL2334493

SCHEMBL2334493

COc1ccccc1C(=O)N[C@@H](CCS(=O)(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
ALDH1A1 P00352 1/20 0.53
CTSD P07339 1/20 0.50
TP53 P04637 1/20 0.48
GLA P06280 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 2/20 0.47
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNA3 P22001 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
STAT3 P40763 1/20 0.45
ITGAV P06756 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
SCHEMBL2334217 0.91 TAS1R3 (0.44) HPGDALDH1A1CTSDTAS1R3TAS1R1
SCHEMBL2327761 0.90 HPGD (0.50) HPGDALDH1A1CTSDTP53GLA
SCHEMBL2326117 0.88 HCRTR1 (0.52) HPGDALDH1A1RAB9ATSHRKMT2A
SCHEMBL2334202 0.87 HPGD (0.56) HPGDALDH1A1CTSDTP53GLA
SCHEMBL2334197 0.87 HPGD (0.56) HPGDALDH1A1CTSDTP53GLA
SCHEMBL2328285 0.87 TAS1R3 (0.47) HPGDALDH1A1CTSDTP53GLA
SCHEMBL2327704 0.87 MEN1 (0.50) ALDH1A1TP53KMT2A
SCHEMBL2330438 0.86 KMT2A (0.46) ALDH1A1TSHRKMT2ALMNA
SCHEMBL2330575 0.86 ALDH1A1 (0.50) HPGDALDH1A1CTSDTP53GLA
SCHEMBL2324537 0.86 ALDH1A1 (0.53) ALDH1A1TP53TSHRKMT2ALMNA

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 9 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-2524686-B1 PIGMENTATION-PREVENTING OR -AMELIORATING AGENT POLA CHEM IND INC (JP) 2017-06-21 EP disclosed
EP-3173063-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2017-05-31 EP disclosed
US-9066914-B2 Prophylactic or ameliorating agent for pigmentation POLA CHEMICAL INDUSTRIES INC. (JP) 2015-06-30 US disclosed
US-8835498-B2 Anti-wrinkle agents POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-16 US disclosed
EP-2524686-A1 PIGMENTATION-PREVENTING OR -AMELIORATING AGENT Pola Chemical Industries Inc. (JP) 2012-11-21 EP disclosed
US-20120282203-A1 PROPHYLACTIC OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEMICAL INDUSTRIES INC. (JP) 2012-11-08 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 (2 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-20120282203-A1 PROPHYLACTIC OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, NQO1 HPGD 250/4885ALDH1A1 136/4885CTSD 4574/4885
US-20110245343-A1 ANTI-WRINKLE AGENTS GLA, H1-4, H1-3 HPGD 1394/4885ALDH1A1 2655/4885CTSD 3604/4885

“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.