SCHEMBL1166472

SCHEMBL1166472

CC(F)(F)c1ccc(Cn2ccc(NC(=O)OCc3cccc(C(F)(F)F)c3)n2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHB P07195 1/20 0.42
KCNH2 Q12809 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP1 P03956 1/20 0.39
MMP12 P39900 1/20 0.39
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38
NR3C2 P08235 1/20 0.38
ABHD6 Q9BV23 1/20 0.38
THRB P10828 1/20 0.38
STIM1 Q13586 2/20 0.37
ORAI1 Q96D31 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
SCHEMBL1167409 0.90 CACNA1G (0.48) LDHBSMN1; SMN2MEN1ALDH1A1CYP1A2
SCHEMBL1167829 0.90 CACNA1G (0.48) LDHBSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL1167011 0.89 CACNA1G (0.44) LDHBSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL1165945 0.89 SMN1; SMN2 (0.43) LDHBKCNH2SMN1; SMN2MEN1ALDH1A1
SCHEMBL1166446 0.84 MEN1 (0.50) SMN1; SMN2MEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL1166752 0.82 SMN1; SMN2 (0.39) LDHBSMN1; SMN2MEN1ALDH1A1CYP1A2
SCHEMBL1167847 0.81 SMN1; SMN2 (0.46) LDHBSMN1; SMN2ALDH1A1CYP1A2MAPT
SCHEMBL1166631 0.81 NPSR1 (0.43) LDHBSMN1; SMN2MEN1ALDH1A1CYP1A2
SCHEMBL1166892 0.79 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2ATHRB
SCHEMBL1166890 0.79 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP claimed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US claimed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US claimed
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
EP-2242743-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 EP disclosed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 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-20110034516-A1 AMINOPYRAZOLE DERIVATIVES CYP3A43, CYP1A2, CYP3A5 LDHB 2513/4885KCNH2 748/4885SMN1; SMN2 4612/4885

“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.