SCHEMBL2330316

SCHEMBL2330316

O=C(N[C@@H](CCS(=O)(=O)O)C(=O)O)c1c(O)ccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
FOLH1 Q04609 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
ENPEP Q07075 2/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL2331096 0.88 HSD17B10 (0.40) ELANEMEN1KMT2AFOLH1ENPEP
SCHEMBL27841963 0.88 ELANE (0.45) ELANEMEN1KMT2AALOX15KDM4E
SCHEMBL2326987 0.88 ELANE (0.45) ELANEMEN1KMT2AALOX15KDM4E
SCHEMBL13583107 0.87 ITGB2 (0.40) MEN1KMT2AFOLH1CA2LMNA
SCHEMBL2329667 0.87 ITGB2 (0.43) MEN1KMT2AFOLH1ENPEPHSD17B10
SCHEMBL2331381 0.87 L3MBTL1 (0.46) MEN1KMT2AFOLH1HSD17B10
SCHEMBL13582982 0.86 PYGL (0.41) MEN1KMT2AFOLH1ENPEPCA2
SCHEMBL13583330 0.85 IDO1 (0.43) ELANEMEN1KMT2AALOX15KDM4E
SCHEMBL2329220 0.85 PYGL (0.40) ELANEMEN1KMT2AFOLH1CA2
SCHEMBL2330826 0.84 MMP3 (0.43) MEN1KMT2AGLA

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 9 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-2524686-B1 PIGMENTATION-PREVENTING OR -AMELIORATING AGENT POLA CHEM IND INC (JP) 2017-06-21 EP disclosed
EP-3173063-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2017-05-31 EP disclosed
US-9066914-B2 Prophylactic or ameliorating agent for pigmentation POLA CHEMICAL INDUSTRIES INC. (JP) 2015-06-30 US disclosed
US-8835498-B2 Anti-wrinkle agents POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-16 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
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 (2 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 ELANE 691/4885MEN1 1487/4885KMT2A 1659/4885
US-20110245343-A1 ANTI-WRINKLE AGENTS GLA, H1-4, H1-3 ELANE 728/4885MEN1 4082/4885KMT2A 3153/4885

“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.