SCHEMBL768786

SCHEMBL768786

O=C(O)c1noc(-c2ccccc2)c1CO

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.63
DUSP3 P51452 7/20 0.50
PTPN2 P17706 1/20 0.45
TRPV1 Q8NER1 5/20 0.44
IP6K1 Q92551 2/20 0.44
IP6K3 Q96PC2 2/20 0.44
IP6K2 Q9UHH9 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTGS1 P23219 1/20 0.41
NOTUM Q6P988 1/20 0.40
ALOX5 P09917 1/20 0.40
ALOX5AP P20292 1/20 0.40

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
SCHEMBL768622 0.86 ALOX5 (0.48) PTPN1DUSP3PTPN2TRPV1IP6K1
SCHEMBL2564471 0.85 PTPN1 (0.61) PTPN1DUSP3IP6K1IP6K3IP6K2
SCHEMBL1226204 0.83 PTPN1 (0.58) PTPN1DUSP3IP6K1IP6K3IP6K2
SCHEMBL766536 0.82 TRPV1 (0.65) TRPV1
SCHEMBL2564362 0.81 PTPN1 (0.56) PTPN1DUSP3IP6K1IP6K3IP6K2
SCHEMBL2568160 0.80 PTPN1 (0.55) PTPN1DUSP3IP6K1IP6K3IP6K2
SCHEMBL2568214 0.79 PTPN1 (0.54) PTPN1DUSP3TRPV1IP6K1IP6K3
SCHEMBL2567880 0.77 PTPN1 (1.00) PTPN1DUSP3IP6K1IP6K3IP6K2
SCHEMBL31526337 0.77 PTGS1 (0.47) PTPN1ALDH1A1PTGS1NOTUM
SCHEMBL4076415 0.76 PTPN1 (0.67) PTPN1DUSP3IP6K1IP6K3IP6K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071481-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-03-22 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-20120071481-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES TRPV1, TRPV5, TRPV3 PTPN1 2000/4885DUSP3 2337/4885PTPN2 1852/4885

“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.