SCHEMBL1166569

SCHEMBL1166569

CC1(c2cncc(COS(C)(=O)=O)c2)OCCO1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL855485 0.80 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL1166847 0.75 CYP11B2 (0.42) CYP11B1CYP11B2ALDH1A1TSHR
SCHEMBL1166919 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1167280 0.72 TSHR (0.37) ALDH1A1TSHR
SCHEMBL1166118 0.72 AKT1 (0.30)
SCHEMBL16385791 0.71 CYP11B1 (0.40) CYP11B1CYP11B2
SCHEMBL2113033 0.70 TLR7 (0.42) CYP11B1CYP11B2
SCHEMBL16821977 0.70 CHRNB2 (0.35)
SCHEMBL4479201 0.70 TACR1 (0.38)
SCHEMBL854966 0.69

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 5 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
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 CYP11B1 68/4885CYP11B2 37/4885ALDH1A1 96/4885

“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.