SCHEMBL2332966

SCHEMBL2332966

CCCCOC(=O)[C@H](CS(=O)(=O)O)NC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.45
PRSS1 P07477 3/20 0.44
CTSG P08311 3/20 0.44
CTRB1 P17538 3/20 0.44
CMA1 P23946 3/20 0.44
CA2 P00918 1/20 0.44
CYP26A1 O43174 1/20 0.44
CTSL P07711 2/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CACNA1F O60840 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL27822915 1.00 NAAA (0.45) NAAAPRSS1CTSGCTRB1CMA1
SCHEMBL2505263 0.92 CYP26A1 (0.51) PRSS1CTSGCTRB1CMA1CYP26A1
SCHEMBL28789916 0.92 CYP26A1 (0.51) PRSS1CTSGCTRB1CMA1CYP26A1
SCHEMBL2323463 0.89 BCHE (0.47) NAAAPRSS1CTSGCTRB1CMA1
SCHEMBL27822895 0.87 CYP26A1 (0.49) PRSS1CTSGCTRB1CMA1CYP26A1
SCHEMBL2330545 0.87 CYP26A1 (0.49) PRSS1CTSGCTRB1CMA1CYP26A1
SCHEMBL2330340 0.84 GAA (0.51) CA2CYP26A1CTSLGAARAB9A
SCHEMBL27822898 0.84 GAA (0.51) CA2CYP26A1CTSLGAARAB9A
SCHEMBL27808559 0.82 CTSL (0.64) CTSGCMA1CTSLGAARAB9A
SCHEMBL28814272 0.82 TAS1R3 (0.60) PRSS1CTSGCTRB1CMA1CYP26A1

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 NAAA 3157/4885PRSS1 906/4885CTSG 966/4885

“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.