SCHEMBL12985287

SCHEMBL12985287

O=C(NC(CO)C(=O)O)c1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.54
ITGA4 P13612 11/20 0.54
ITGB7 P26010 11/20 0.54
POLB P06746 1/20 0.53
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
GPR139 Q6DWJ6 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ITGAV P06756 1/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL26264262 0.86 PYGL (0.60) ITGB1ITGA4ITGB7POLBCA1
SCHEMBL26263222 0.86 ITGB1 (0.56) ITGB1ITGA4ITGB7POLBGPR139
SCHEMBL2789470 0.86 ITGB1 (0.56) ITGB1ITGA4ITGB7POLBGPR139
SCHEMBL2330851 0.85 ITGB1 (0.47) ITGB1ITGA4ITGB7POLBGPR139
SCHEMBL2330845 0.85 ITGB1 (0.47) ITGB1ITGA4ITGB7POLBGPR139
SCHEMBL16993943 0.84 ITGB1 (0.67) ITGB1ITGA4ITGB7
SCHEMBL16993942 0.84 ITGB1 (0.67) ITGB1ITGA4ITGB7
SCHEMBL28797504 0.83 PYGL (0.54) ITGB1ITGA4ITGB7POLBCA1
SCHEMBL12985034 0.83 SMN1; SMN2 (0.49) ITGB1ITGA4ITGB7POLBGPR139
SCHEMBL2330922 0.83 ITGB1 (0.48) ITGB1ITGA4ITGB7POLBGPR139

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-2514402-B1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEM IND INC (JP) 2016-08-31 EP disclosed
US-9414998-B2 Preventing or ameliorating agent for pigmentation POLA CHEMICAL INDUSTRIES INC. (JP) 2016-08-16 US disclosed
US-20140322150-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEMICAL INDUSTRIES INC. (JP) 2014-10-30 US disclosed
EP-2514402-A1 PROPHYLACTIC OR AMELIORATING AGENT FO PIGMENTATION Pola Chemical Industries Inc. (JP) 2012-10-24 EP disclosed
US-20120258063-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEMICAL INDUSTRIES INC. (JP) 2012-10-11 US 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-20140322150-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, MITF ITGB1 2109/4885ITGA4 1742/4885ITGB7 2467/4885
US-20120258063-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, MITF ITGB1 2109/4885ITGA4 1742/4885ITGB7 2467/4885

“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.