SCHEMBL2331801

SCHEMBL2331801

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI1 Q9ULC6 3/20 0.44
PADI3 Q9ULW8 3/20 0.44
PADI4 Q9UM07 3/20 0.44
KMT2A Q03164 1/20 0.42
APEX1 P27695 1/20 0.42
ALDH1A1 P00352 3/20 0.41
ENPEP Q07075 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
CA2 P00918 3/20 0.40
MAPT P10636 1/20 0.40
PYGL P06737 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
PADI2 Q9Y2J8 1/20 0.40
CA1 P00915 2/20 0.40

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
SCHEMBL2328691 0.89 CA2 (0.41) ENPEPNFKB1MAPK1CYP2C19BLM
SCHEMBL2327188 0.87 KDM4E (0.48) KMT2AALDH1A1ENPEPKDM4ECA2
SCHEMBL2330438 0.87 KMT2A (0.46) KMT2AALDH1A1ENPEPKDM4ENFKB1
SCHEMBL2333987 0.87 CA2 (0.43) ENPEPNFKB1MAPK1CYP2C19BLM
SCHEMBL13583458 0.86 PYGL (0.46) KMT2APYGLCYP2C9
SCHEMBL2324603 0.86 POLB (0.50) KMT2AALDH1A1MAPTPYGL
SCHEMBL2330922 0.86 ITGB1 (0.48) PYGL
SCHEMBL2333528 0.86 CHRNB2 (0.47) KMT2AALDH1A1
SCHEMBL2323658 0.86 KDM4E (0.49) KMT2AALDH1A1ENPEPKDM4EMAPK1
SCHEMBL2504033 0.85 CA2 (0.42) ENPEPNFKB1MAPK1CYP2C19BLM

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 PADI1 1609/4885PADI3 2008/4885PADI4 2202/4885

“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.