SCHEMBL2327355

SCHEMBL2327355

CC(=O)c1ccccc1C(=O)N[C@@H](CS(=O)(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 4/20 0.41
ITGA4 P13612 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 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
PYGL P06737 1/20 0.38
KCNA5 P22460 1/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
MEN1 O00255 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
SCHEMBL2327347 1.00 ITGB1 (0.41) ITGB1ITGA4L3MBTL1CA2CA1
SCHEMBL2328455 0.88 KMT2A (0.44) CA2CA1NFKB1MAPK1CYP2C19
SCHEMBL2328462 0.88 KMT2A (0.44) CA2CA1NFKB1MAPK1CYP2C19
SCHEMBL2328691 0.86 CA2 (0.41) ITGB1ITGA4CA2CA1NFKB1
SCHEMBL2331224 0.86 CA1 (0.42) L3MBTL1CA2CA1CYP2C19KMT2A
SCHEMBL2329749 0.86 KCNA5 (0.39) ITGB1ITGA4L3MBTL1CA2CA1
SCHEMBL2331230 0.86 CA1 (0.42) L3MBTL1CA2CA1CYP2C19KMT2A
SCHEMBL2329741 0.86 KCNA5 (0.39) ITGB1ITGA4L3MBTL1CA2CA1
SCHEMBL2330381 0.86 L3MBTL1 (0.48) L3MBTL1PYGLALDH1A1HPGD
SCHEMBL13583261 0.86 L3MBTL1 (0.48) L3MBTL1PYGLALDH1A1HPGD

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 ITGB1 3029/4885ITGA4 2166/4885L3MBTL1 1901/4885

“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.