SCHEMBL4408652

SCHEMBL4408652

CCOc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc2ncc(-c3ccc(F)cc3)nc12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 15/20 0.53
CA2 P00918 15/20 0.53
CA9 Q16790 15/20 0.53
PTGS2 P35354 4/20 0.45
PTGS1 P23219 1/20 0.45
CA12 O43570 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CDK2 P24941 1/20 0.42

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
SCHEMBL4408548 0.91 MAPT (0.43) CA1CA2CA9PTGS2PTGS1
SCHEMBL5115054 0.87 CA2 (0.53) CA1CA2CA9PTGS2PTGS1
SCHEMBL5114812 0.87 CA2 (0.53) CA1CA2CA9PTGS2PTGS1
SCHEMBL4407942 0.81 PTGS2 (0.47) CA1CA2CA9PTGS2PTGS1
SCHEMBL5108985 0.81 CA1 (0.58) CA1CA2CA9PTGS2CA12
SCHEMBL3760769 0.78 NOS1 (0.47) CA1CA2CA9CA12CDK2
SCHEMBL5123349 0.78 PTGS2 (0.55) CA1CA2CA9PTGS2PTGS1
SCHEMBL3333982 0.78 CA1 (0.54) CA1CA2CA9PTGS2PTGS1
SCHEMBL4411190 0.78 NOS1 (0.54) CA1CA2CA9PTGS2PTGS1
SCHEMBL4415363 0.78 KCNH3 (0.39) CA1CA2CA9PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318456-A1 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-12-24 US disclosed
US-20090318456-A1 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-12-24 US disclosed
US-20090318456-A1 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-12-24 US disclosed
WO-2008003149-A2 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES , INC. (US) 2008-01-10 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-20090318456-A1 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HAVCR2, TYMP, HCCS CA1 4865/4885CA2 4750/4885CA9 4668/4885

“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.