SCHEMBL13583182

SCHEMBL13583182

CCCCc1ccccc1-c1ccccc1C(=O)N[C@@H](CCS(=O)(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PYGL P06737 3/20 0.41
CYP2C9 P11712 2/20 0.41
KCNA5 P22460 6/20 0.40
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37

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
SCHEMBL13583606 0.93 MEN1 (0.44) CA2MEN1KMT2APYGLCYP2C9
SCHEMBL2329271 0.91 CA2 (0.46) CA2PYGLCYP2C9KCNA5FNTA
SCHEMBL13583111 0.91 MEN1 (0.46) CA2MEN1KMT2APYGLCYP2C9
SCHEMBL13583516 0.90 MEN1 (0.43) CA2MEN1KMT2APYGLCYP2C9
SCHEMBL13583525 0.90 MEN1 (0.43) CA2MEN1KMT2APYGLCYP2C9
SCHEMBL13822277 0.89 MEN1 (0.40) MEN1KMT2AKCNA5S1PR2S1PR1
SCHEMBL2328207 0.88 CA2 (0.45) CA2PYGLCYP2C9FNTAFNTB
SCHEMBL2329801 0.87 S1PR2 (0.46) CA2PYGLCYP2C9FNTAFNTB
SCHEMBL2326078 0.87 S1PR2 (0.46) CA2PYGLCYP2C9FNTAFNTB
SCHEMBL2326953 0.87 S1PR2 (0.46) CA2PYGLCYP2C9FNTAFNTB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2524686-B1 PIGMENTATION-PREVENTING OR -AMELIORATING AGENT POLA CHEM IND INC (JP) 2017-06-21 EP disclosed
US-9066914-B2 Prophylactic or ameliorating agent for pigmentation POLA CHEMICAL INDUSTRIES INC. (JP) 2015-06-30 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

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-20120282203-A1 PROPHYLACTIC OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, NQO1 CA2 894/4885MEN1 1487/4885KMT2A 1659/4885

“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.