SCHEMBL2329628

SCHEMBL2329628

CCCOC(=O)[C@H](CS(=O)(=O)O)NC(=O)c1ccccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.47
CTSD P07339 1/20 0.47
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNA3 P22001 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
STAT3 P40763 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL2330917 0.91 HPGD (0.49) ALDH1A1HPGDCTSDTP53GLA
SCHEMBL2330575 0.90 ALDH1A1 (0.50) ALDH1A1HPGDCTSDTP53GLA
SCHEMBL2327087 0.89 CTSD (0.52) ALDH1A1HPGDCTSDTP53GLA
SCHEMBL2334202 0.84 HPGD (0.56) ALDH1A1HPGDCTSDTP53GLA
SCHEMBL2334197 0.84 HPGD (0.56) ALDH1A1HPGDCTSDTP53GLA
SCHEMBL2328659 0.84 CLPP (0.44) ALDH1A1TAS1R3TAS1R1MAPK1LMNA
SCHEMBL2323210 0.83 ALDH1A1 (0.53) ALDH1A1HPGDCTSDTP53GLA
SCHEMBL2323211 0.83 ALDH1A1 (0.53) ALDH1A1HPGDCTSDTP53GLA
SCHEMBL2333174 0.83 ALDH1A1 (0.52) ALDH1A1HPGDCTSDTP53GLA
SCHEMBL2505263 0.82 CYP26A1 (0.51) ALDH1A1TAS1R3TAS1R1TDP1LMNA

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 2655/4885HPGD 1394/4885CTSD 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.