SCHEMBL17320658

SCHEMBL17320658

Cc1cc(C2OCCO2)cc(C#N)c1C

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
TSHR P16473 1/20 0.31

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
SCHEMBL15970969 0.81 CYP11B2 (0.46) CYP11B1CYP11B2TSHR
SCHEMBL20090804 0.77 CYP11B1 (0.39) CYP11B1CYP11B2
SCHEMBL20093956 0.76 CYP11B2 (0.47) CYP11B1CYP11B2TSHR
SCHEMBL17320662 0.72 CYP11B1 (0.42) CYP11B1CYP11B2
SCHEMBL8886456 0.71 FPR2 (0.45) CYP11B1CYP11B2
SCHEMBL20093625 0.71 CYP11B1 (0.43) CYP11B1CYP11B2
SCHEMBL20588825 0.70 CYP11B1 (0.43) CYP11B1CYP11B2
SCHEMBL24411352 0.70 CYP11B1 (0.40) CYP11B1CYP11B2
SCHEMBL3712044 0.69 CYP11B1 (0.51) CYP11B1CYP11B2
SCHEMBL1859517 0.67 HTT (0.34) CYP11B1CYP11B2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580379-B2 Xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-02-28 US disclosed
US-20150353471-A1 XANTHINE OXIDASE INHIBITORS AND METHODS OF USE BAYLOR COLLEGE OF MEDICINE 2015-12-10 US 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-20150353471-A1 XANTHINE OXIDASE INHIBITORS AND METHODS OF USE XDH, PNPO, AOX1 CYP11B1 59/4885CYP11B2 46/4885TSHR 4290/4885

“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.