SCHEMBL2117727

SCHEMBL2117727

COC(=O)C(CNC(=O)c1ccc2cccc(OS(=O)(=O)C(F)(F)F)c2n1)NC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.44
HDAC4 P56524 10/20 0.44
HDAC1 Q13547 10/20 0.44
HDAC7 Q8WUI4 10/20 0.44
HDAC2 Q92769 10/20 0.44
HDAC10 Q969S8 10/20 0.44
HDAC11 Q96DB2 10/20 0.44
HDAC8 Q9BY41 10/20 0.44
HDAC6 Q9UBN7 10/20 0.44
HDAC9 Q9UKV0 10/20 0.44
HDAC5 Q9UQL6 10/20 0.44
KYNU Q16719 1/20 0.42
CTSL P07711 3/20 0.39
CTSS P25774 3/20 0.39
CTSB P07858 2/20 0.39
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 1/20 0.37
CASP1 P29466 2/20 0.37

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
SCHEMBL2115818 0.80 KYNU (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2116612 0.78 MAPT (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3425983 0.75 MAPT (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2118060 0.73 CA1 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2861260 0.72 ALDH1A1 (0.56) CTSLCTSSCTSBALDH1A1ALOX15
SCHEMBL2419128 0.72 ALDH1A1 (0.56) CTSLCTSSCTSBALDH1A1ALOX15
SCHEMBL24130582 0.71 KYNU (0.62) KYNUCTSLCTSSCTSBALDH1A1
SCHEMBL24130581 0.71 KYNU (0.62) KYNUCTSLCTSSCTSBALDH1A1
SCHEMBL2936831 0.70 KYNU (0.57) KYNUCTSLCTSSCTSBALDH1A1
SCHEMBL27845832 0.70 KYNU (0.57) KYNUCTSLCTSSCTSBALDH1A1

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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 EP disclosed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 WO 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 HDAC3 4127/4885HDAC4 3989/4885HDAC1 3571/4885

“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.