SCHEMBL2323901

SCHEMBL2323901

CCCCc1ccccc1C(=O)N[C@@H](CS(=O)(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
PYGL P06737 3/20 0.39
CYP2C9 P11712 3/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
HTT P42858 2/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
TSHR P16473 2/20 0.38
CA1 P00915 1/20 0.37
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNA5 P22460 1/20 0.37
ADRB2 P07550 1/20 0.36

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
SCHEMBL2323895 1.00 CA2 (0.41) CA2PYGLCYP2C9CA12CA9
SCHEMBL2326571 0.96 CA12 (0.41) CA2PYGLCYP2C9CA12CA9
SCHEMBL2326565 0.96 CA12 (0.41) CA2PYGLCYP2C9CA12CA9
SCHEMBL2327437 0.95 CYSLTR2 (0.41) CA2PYGLCA12CA9
SCHEMBL2327440 0.95 CYSLTR2 (0.41) CA2PYGLCA12CA9
SCHEMBL2329721 0.95 CYSLTR2 (0.41) CA2PYGLCA12CA9
SCHEMBL2329726 0.95 CYSLTR2 (0.41) CA2PYGLCA12CA9
SCHEMBL2328069 0.95 CYSLTR2 (0.41) CA2PYGLCA12CA9
SCHEMBL2328071 0.95 CYSLTR2 (0.41) CA2PYGLCA12CA9
SCHEMBL2327518 0.93 HTT (0.40) CA2PYGLCYP2C9CA12CA9

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 CA2 894/4885PYGL 576/4885CYP2C9 2978/4885
US-20110245343-A1 ANTI-WRINKLE AGENTS GLA, H1-4, H1-3 CA2 2926/4885PYGL 3457/4885CYP2C9 3266/4885

“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.