SCHEMBL1165845

SCHEMBL1165845

CC(=O)c1ccc(Cn2ccc(NC(=O)OCc3cc(C)ccc3C)n2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.42
LMNA P02545 4/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 3/20 0.41
ATM Q13315 1/20 0.41
CACNA1G O43497 3/20 0.40
CACNA1H O95180 3/20 0.40
CACNA1I Q9P0X4 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 2/20 0.39

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
SCHEMBL1166466 0.90 CACNA1G (0.51) TSHRLMNAALDH1A1CACNA1GCACNA1H
SCHEMBL1166341 0.88 TSHR (0.41) TSHRLMNAMAPK1ALDH1A1ATM
SCHEMBL1166411 0.86 CACNA1G (0.51) TSHRLMNAMAPK1ALDH1A1ATM
SCHEMBL1167293 0.86 SMN1; SMN2 (0.44) TSHRLMNAALDH1A1CACNA1GCACNA1H
SCHEMBL1165912 0.84 NPSR1 (0.45) LMNAALDH1A1CACNA1GCACNA1HCACNA1I
SCHEMBL1167290 0.83 HCRTR1 (0.54) TSHRLMNAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL1166123 0.82 CACNA1G (0.47) LMNAALDH1A1CACNA1GCACNA1HCACNA1I
SCHEMBL1166624 0.82 SMN1; SMN2 (0.53) LMNAALDH1A1CACNA1GCACNA1HCACNA1I
SCHEMBL1166352 0.82 NPSR1 (0.49) TSHRLMNAALDH1A1CACNA1GCACNA1H
SCHEMBL1167475 0.82 NPSR1 (0.45) LMNAALDH1A1CACNA1GCACNA1HCACNA1I

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 10 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-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 EP claimed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO 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 TSHR 2130/4885LMNA 4005/4885MAPK1 2866/4885

“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.