SCHEMBL2117513

SCHEMBL2117513

NS(=O)(=O)NC(CNC(=O)c1ccc2cccc(-c3cccc4ccccc34)c2n1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 8/20 0.39
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
CASP1 P29466 1/20 0.37
FDPS P14324 1/20 0.37
GAA P10253 1/20 0.36
KDM6B O15054 1/20 0.36
FTO Q9C0B1 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
SCHEMBL2116269 0.89 FDPS (0.39) FDPSGAA
Hydrochloric Acid SCHEMBL2116377 0.89 FDPS (0.38) FDPSGAA
SCHEMBL27801367 0.87 CASP1 (0.36) ITGAVITGB3ITGA2BCASP1FDPS
SCHEMBL27801369 0.86 CASP1 (0.36) ITGAVITGB3ITGA2BCASP1FDPS
SCHEMBL2119125 0.78 FDPS (0.42) FDPSGAA
Hydrochloric Acid SCHEMBL2119121 0.78 FDPS (0.42) FDPSGAA
Ammonia Solution, Strong SCHEMBL2117519 0.76 GAA (0.36) FDPSGAAKDM6BFTO
SCHEMBL2116667 0.74 CA12 (0.38) CASP1FDPS
SCHEMBL2116709 0.74 HDAC8 (0.39) FDPSGAAKDM6BFTO
SCHEMBL2115818 0.74 KYNU (0.45) CASP1

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
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 EP claimed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 WO claimed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 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 (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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE FDPS, GGPS1, CTPS1 ITGAV 4834/4885ITGB3 4762/4885ITGA2B 4719/4885

“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.