SCHEMBL2330845

SCHEMBL2330845

O=C(NC(CS(=O)(=O)O)C(=O)O)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 11/20 0.47
ITGA4 P13612 9/20 0.47
ITGB7 P26010 8/20 0.47
POLB P06746 2/20 0.47
PYGL P06737 2/20 0.46
GPR139 Q6DWJ6 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ITGAV P06756 2/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL2330851 1.00 ITGB1 (0.47) ITGB1ITGA4ITGB7POLBPYGL
SCHEMBL13583835 0.89 ITGB1 (0.44) ITGB1ITGA4ITGB7PYGLITGAV
SCHEMBL13583833 0.89 ITGB1 (0.44) ITGB1ITGA4ITGB7PYGLITGAV
SCHEMBL2330637 0.89 TAS1R3 (0.58) ITGB1ITGA4PYGLGPR139ITGAV
SCHEMBL2330641 0.89 TAS1R3 (0.58) ITGB1ITGA4PYGLGPR139ITGAV
SCHEMBL2330922 0.86 ITGB1 (0.48) ITGB1ITGA4ITGB7POLBPYGL
SCHEMBL2328455 0.85 KMT2A (0.44) KMT2A
SCHEMBL2328462 0.85 KMT2A (0.44) KMT2A
SCHEMBL12985287 0.85 ITGB1 (0.54) ITGB1ITGA4ITGB7POLBGPR139
SCHEMBL2324854 0.84 KDM4E (0.50) POLBNPC1RAB9AKMT2A

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 ITGB1 1880/4885ITGA4 2227/4885ITGB7 2589/4885
US-20110245343-A1 ANTI-WRINKLE AGENTS GLA, H1-4, H1-3 ITGB1 3029/4885ITGA4 2166/4885ITGB7 3227/4885

“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.