SCHEMBL1166446

SCHEMBL1166446

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SCD5 Q86SK9 6/20 0.47
SCD O00767 7/20 0.44
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MGLL Q99685 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
JAK3 P52333 2/20 0.38
MMP1 P03956 1/20 0.38
MMP12 P39900 1/20 0.38

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) MEN1ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL1166489 0.90 SCD (0.46) MEN1ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL1167745 0.89 SCD (0.50) ALDH1A1CYP1A2CYP2C19SMN1; SMN2SCD5
SCHEMBL1165715 0.89 ALDH1A1 (0.55) MEN1ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL1166181 0.86 SCD (0.41) MEN1ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL1166472 0.84 LDHB (0.42) MEN1ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL1167395 0.82 ALDH1A1 (0.47) MEN1ALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL1166978 0.82 SMN1; SMN2 (0.42) MEN1ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL1166681 0.82 SCD5 (0.43) MEN1ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL1167389 0.81 HCRTR1 (0.41) MEN1ALDH1A1CYP1A2CYP2D6MAPT

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 MEN1 2602/4885ALDH1A1 96/4885CYP1A2 2/4885

“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.