SCHEMBL2330438

SCHEMBL2330438

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
PYGL P06737 3/20 0.40
CYP2C9 P11712 2/20 0.40
ENPEP Q07075 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
KCNA5 P22460 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CFTR P13569 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 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
SCHEMBL2326902 0.89 TSHR (0.50) KMT2AHSD17B10KDM4ECA2PYGL
SCHEMBL2331230 0.87 CA1 (0.42) KMT2AHSD17B10CYP2C19KDM4ECYP1A2
SCHEMBL2328691 0.87 CA2 (0.41) CYP2C19CA2CA1PYGLCYP2C9
SCHEMBL2331224 0.87 CA1 (0.42) KMT2AHSD17B10CYP2C19KDM4ECYP1A2
SCHEMBL2331801 0.87 PADI1 (0.44) KMT2ACYP2C19KDM4ECA2CA1
SCHEMBL2334493 0.86 HPGD (0.53) KMT2ATSHRLMNAALDH1A1
SCHEMBL2333987 0.85 CA2 (0.43) CYP2C19CA2CA1CA9PYGL
SCHEMBL13583458 0.84 PYGL (0.46) KMT2APYGLCYP2C9
SCHEMBL12984202 0.84 TGFBR1 (0.46) KMT2AHSD17B10KDM4ECA2CA1
SCHEMBL2504033 0.84 CA2 (0.42) CYP2C19CA2CA1CA9PYGL

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 KMT2A 3153/4885HSD17B10 1849/4885CYP2C19 3573/4885

“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.