SCHEMBL2333987

SCHEMBL2333987

CCC(=O)c1ccccc1C(=O)N[C@@H](CCS(=O)(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.43
PYGL P06737 3/20 0.42
CYP2C9 P11712 2/20 0.42
KCNA5 P22460 3/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA9 Q16790 3/20 0.39
ENPEP Q07075 2/20 0.39
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
ABCB1 P08183 1/20 0.38
MME P08473 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
SCHEMBL2504033 0.91 CA2 (0.42) CA2PYGLCYP2C9KCNA5FNTA
SCHEMBL2328691 0.87 CA2 (0.41) CA2PYGLCYP2C9KCNA5FNTA
SCHEMBL2329741 0.87 KCNA5 (0.39) CA2PYGLCYP2C9KCNA5CA12
SCHEMBL2329749 0.87 KCNA5 (0.39) CA2PYGLCYP2C9KCNA5CA12
SCHEMBL2331801 0.87 PADI1 (0.44) CA2PYGLCYP2C9CA1ENPEP
SCHEMBL2329702 0.86 TAS1R3 (0.40) CA2PYGLCYP2C9KCNA5FNTA
SCHEMBL2327891 0.86 CA2 (0.43) CA2PYGLCYP2C9KCNA5FNTA
SCHEMBL2330438 0.85 KMT2A (0.46) CA2PYGLCYP2C9KCNA5CA1
SCHEMBL13583458 0.84 PYGL (0.46) PYGLCYP2C9
SCHEMBL2324176 0.84 FNTA (0.43) PYGLCYP2C9KCNA5FNTAFNTB

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 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.