SCHEMBL1166161

SCHEMBL1166161

CC(F)(F)c1ccc(Cn2cc(NC(=O)/C=C\c3ccc(C(F)(F)F)cc3)cn2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 1/20 0.49
MAOB P27338 2/20 0.46
HDAC3 O15379 1/20 0.44
ADAM17 P78536 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL1167682 1.00 TAS2R8 (0.49) TAS2R8MAOBHDAC3ADAM17HDAC1
SCHEMBL1166162 1.00 TAS2R8 (0.49) TAS2R8MAOBHDAC3ADAM17HDAC1
SCHEMBL1166984 0.92 TAS2R8 (0.52) TAS2R8HDAC3HDAC1HDAC2HDAC10
SCHEMBL1168196 0.92 TAS2R8 (0.52) TAS2R8HDAC3HDAC1HDAC2HDAC10
SCHEMBL1166981 0.92 TAS2R8 (0.52) TAS2R8HDAC3HDAC1HDAC2HDAC10
SCHEMBL1167820 0.89 TAS2R8 (0.47) TAS2R8HDAC3HDAC1HDAC2HDAC8
SCHEMBL1166938 0.89 TAS2R8 (0.47) TAS2R8HDAC3HDAC1HDAC2HDAC8
SCHEMBL1166939 0.89 TAS2R8 (0.47) TAS2R8HDAC3HDAC1HDAC2HDAC8
SCHEMBL1168189 0.87 TAS2R8 (0.49) TAS2R8MAOBHDAC3ADAM17HDAC1
SCHEMBL1166232 0.87 TAS2R8 (0.49) TAS2R8MAOBHDAC3ADAM17HDAC1

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-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP disclosed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US disclosed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 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-20110034516-A1 AMINOPYRAZOLE DERIVATIVES CYP3A43, CYP1A2, CYP3A5 TAS2R8 1765/4885MAOB 253/4885HDAC3 1388/4885

“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.