SCHEMBL2330698

SCHEMBL2330698

CCCc1ccccc1C(=O)N[C@@H](CCS(=O)(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
PYGL P06737 3/20 0.41
CYP2C9 P11712 2/20 0.41
CCKAR P32238 3/20 0.40
CCKBR P32239 3/20 0.40
KCNA5 P22460 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
ENPEP Q07075 2/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL2329271 0.93 CA2 (0.46) CA2PYGLCYP2C9CCKARCCKBR
SCHEMBL2327891 0.92 CA2 (0.43) CA2PYGLCYP2C9CCKARCCKBR
SCHEMBL2328207 0.92 CA2 (0.45) CA2PYGLCYP2C9FNTAFNTB
SCHEMBL2329801 0.91 S1PR2 (0.46) CA2PYGLCYP2C9FNTAFNTB
SCHEMBL2326078 0.91 S1PR2 (0.46) CA2PYGLCYP2C9FNTAFNTB
SCHEMBL2326953 0.91 S1PR2 (0.46) CA2PYGLCYP2C9FNTAFNTB
SCHEMBL13583606 0.91 MEN1 (0.44) CA2PYGLCYP2C9KCNA5FNTA
SCHEMBL2327518 0.89 HTT (0.40) CA2PYGLCYP2C9KCNA5HTT
SCHEMBL2327525 0.89 HTT (0.40) CA2PYGLCYP2C9KCNA5HTT
SCHEMBL13583285 0.87 SMN1; SMN2 (0.37) KCNA5HTTPOLBKDR

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.