SCHEMBL3227966

SCHEMBL3227966

Cc1cc(NC(=O)NC(CCCN(C)C)c2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)nc2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 14/20 0.42
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
P2RX3 P56373 1/20 0.36
HDAC1 Q13547 1/20 0.36
S1PR3 Q99500 1/20 0.35

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
SCHEMBL3230143 0.94 UTS2R (0.40) UTS2RROCK2ROCK1P2RX3HDAC1
SCHEMBL3234270 0.93 TMEM97 (0.38) UTS2RP2RX3HDAC1S1PR3
SCHEMBL4220508 0.91 UTS2R (0.41) UTS2RROCK2ROCK1P2RX3
SCHEMBL3226027 0.90 UTS2R (0.42) UTS2RROCK2ROCK1
SCHEMBL3234013 0.90 UTS2R (0.43) UTS2RROCK2ROCK1
SCHEMBL11899891 0.89 UTS2R (0.44) UTS2RROCK2ROCK1P2RX3
SCHEMBL3226314 0.89 UTS2R (0.42) UTS2RROCK2ROCK1S1PR3
SCHEMBL2385454 0.88 UTS2R (0.45) UTS2RHDAC1
SCHEMBL3230267 0.88 UTS2R (0.41) UTS2RROCK2ROCK1HDAC1
SCHEMBL3227897 0.87 UTS2R (0.52) UTS2RROCK2ROCK1HDAC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
EP-2135620-A1 OCULAR HYPOTENSIVE AGENT COMPRISING COMPOUND CAPABLE OF INHIBITING HISTONE DEACETYLASE AS ACTIVE INGREDIENT Santen Pharmaceutical Co., Ltd (JP) 2009-12-23 EP disclosed
EP-2133339-A1 NOVEL (2-AMINOPHENYL)PYRIDINECARBOXAMIDE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-12-16 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-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 UTS2R 2161/4885ROCK2 125/4885ROCK1 62/4885

“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.