SCHEMBL2328285

SCHEMBL2328285

CCOC(=O)[C@H](CCS(=O)(=O)O)NC(=O)c1ccccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.47
CTSD P07339 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 3/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GLA P06280 1/20 0.42

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
SCHEMBL2330575 0.92 ALDH1A1 (0.50) TAS1R3TAS1R1HPGDALDH1A1CTSD
SCHEMBL2327761 0.92 HPGD (0.50) TAS1R3TAS1R1HPGDALDH1A1CTSD
SCHEMBL13822310 0.91 TAS1R3 (0.44) TAS1R3TAS1R1HPGDALDH1A1CTSD
SCHEMBL13583314 0.91 HCRTR1 (0.51) HPGDALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2333174 0.90 ALDH1A1 (0.52) TAS1R3TAS1R1HPGDALDH1A1CTSD
SCHEMBL13583620 0.89 MEN1 (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL2330917 0.88 HPGD (0.49) TAS1R3TAS1R1HPGDALDH1A1CTSD
SCHEMBL13583500 0.88 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1NPSR1TP53
SCHEMBL2334493 0.87 HPGD (0.53) TAS1R3TAS1R1HPGDALDH1A1CTSD
SCHEMBL13822309 0.87 THRB (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1POLB

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 TAS1R3 3316/4885TAS1R1 2922/4885HPGD 250/4885
US-20110245343-A1 ANTI-WRINKLE AGENTS GLA, H1-4, H1-3 TAS1R3 746/4885TAS1R1 809/4885HPGD 1394/4885

“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.