SCHEMBL17320659

SCHEMBL17320659

Nc1cc(C2OCCO2)cc(O)c1O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.32
PTPN1 P18031 1/20 0.31
ALOX5 P09917 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
SCHEMBL17320661 0.86 PTPN1 (0.35) PTPN1ALOX5
SCHEMBL242386 0.77 DRD3 (0.47) DRD3PTPN1ALOX5
SCHEMBL17323267 0.75 ALDH1A1 (0.33) PTPN1ALOX5
SCHEMBL17320653 0.74 MAPK8 (0.34)
SCHEMBL14660338 0.74 PTPN1 (0.32) PTPN1
SCHEMBL17320662 0.73 CYP11B1 (0.42)
SCHEMBL17311198 0.70 TTR (0.50)
SCHEMBL14086413 0.70 CYP3A4 (0.41) DRD3PTPN1ALOX5
SCHEMBL3779996 0.70 DRD3 (0.45) DRD3PTPN1ALOX5
SCHEMBL19265379 0.70 CCNB2 (0.31)

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
US-9580379-B2 Xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-02-28 US disclosed
US-9580379-B2 Xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-02-28 US disclosed
WO-2015191635-A2 XANTHINE OXIDASE INHIBITORS AND METHODS OF USE BAYLOR COLLEGE OF MEDICINE (US) 2015-12-17 WO disclosed
US-20150353471-A1 XANTHINE OXIDASE INHIBITORS AND METHODS OF USE BAYLOR COLLEGE OF MEDICINE 2015-12-10 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 DRD3 3518/4885PTPN1 1872/4885ALOX5 362/4885

“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.