SCHEMBL1166489

SCHEMBL1166489

CC(F)(F)c1ccc(Cn2cc(NC(=O)OCc3cccc(Cl)c3)cn2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.46
SCD5 Q86SK9 7/20 0.46
ITK Q08881 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
TAS2R8 Q9NYW2 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
NAMPT P43490 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HCRTR1 O43613 1/20 0.40

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
SCHEMBL1166149 0.91 HCRTR2 (0.47) SCDSCD5MEN1KMT2ACYP1A2
SCHEMBL1166446 0.90 MEN1 (0.50) SCDSCD5MEN1KMT2ACYP1A2
SCHEMBL1167745 0.89 SCD (0.50) SCDSCD5CYP1A2CYP2C19TAS2R8
SCHEMBL1166181 0.86 SCD (0.41) SCDSCD5MEN1KMT2ATP53
SCHEMBL1166519 0.86 HCRTR1 (0.51) SCDSCD5ITKMEN1KMT2A
SCHEMBL1166886 0.84 SCD5 (0.43) SCDSCD5MEN1KMT2AHPGD
SCHEMBL1165908 0.84 KDM4E (0.48) SCDSCD5MEN1KMT2ACYP1A2
SCHEMBL1166682 0.84 KDM4E (0.41) SCDSCD5MEN1KMT2ATP53
SCHEMBL1167829 0.84 CACNA1G (0.48) HPGDCYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL1167395 0.82 ALDH1A1 (0.47) SCDSCD5MEN1KMT2AHPGD

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 SCD 4685/4885SCD5 4238/4885ITK 2922/4885

“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.