SCHEMBL2329667

SCHEMBL2329667

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 7/20 0.43
ICAM1 P05362 7/20 0.43
ITGAL P20701 7/20 0.43
FOLH1 Q04609 1/20 0.39
ITGA4 P13612 2/20 0.39
PYGL P06737 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALB P02768 1/20 0.37
IL2 P60568 1/20 0.37
CYP2C9 P11712 1/20 0.37
ITGB1 P05556 1/20 0.37
METAP2 P50579 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PIN1 Q13526 1/20 0.37
ENPEP Q07075 1/20 0.36

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
SCHEMBL2326677 0.88 ITGB2 (0.45) ITGB2ICAM1ITGALITGA4PYGL
SCHEMBL2330316 0.87 ELANE (0.43) FOLH1MEN1KMT2AHSD17B10ENPEP
SCHEMBL2331096 0.87 HSD17B10 (0.40) FOLH1ITGA4PYGLMEN1KMT2A
SCHEMBL13583195 0.86 ITGB2 (0.40) ITGB2ICAM1ITGALFOLH1ITGA4
SCHEMBL2331381 0.86 L3MBTL1 (0.46) ITGB2ICAM1ITGALFOLH1ITGA4
SCHEMBL13583107 0.86 ITGB2 (0.40) ITGB2ICAM1ITGALFOLH1ITGA4
SCHEMBL13583677 0.86 TACR3 (0.37) ITGB2ICAM1ITGALITGA4MEN1
SCHEMBL13583171 0.85 ITGA4 (0.39) ITGB2ICAM1ITGALFOLH1ITGA4
SCHEMBL13582982 0.85 PYGL (0.41) ITGB2ICAM1ITGALFOLH1ITGA4
SCHEMBL2329220 0.84 PYGL (0.40) FOLH1ITGA4PYGLMEN1KMT2A

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 ITGB2 2106/4885ICAM1 3856/4885ITGAL 2676/4885
US-20110245343-A1 ANTI-WRINKLE AGENTS GLA, H1-4, H1-3 ITGB2 3417/4885ICAM1 4581/4885ITGAL 3686/4885

“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.