SCHEMBL4573327

SCHEMBL4573327

CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2c[c]ccc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.52
SFRP1 Q8N474 4/20 0.49
BRD4 O60885 2/20 0.49
ALDH1A1 P00352 2/20 0.47
STS P08842 4/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GPR119 Q8TDV5 3/20 0.45
MMP13 P45452 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL4573937 0.95 BRD4 (0.50) CCR8SFRP1BRD4ALDH1A1STS
SCHEMBL4573343 0.87 STS (0.53) CCR8SFRP1BRD4ALDH1A1STS
SCHEMBL4407578 0.81 CCR8 (0.56) CCR8SFRP1BRD4GPR119MMP13
SCHEMBL4602370 0.80 MMP13 (0.63) CCR8SFRP1BRD4STSGPR119
SCHEMBL1338750 0.80 CCR8 (0.69) CCR8SFRP1BRD4HTT
SCHEMBL1338768 0.79 CCR8 (0.53) CCR8SFRP1BRD4ALDH1A1STS
SCHEMBL4573247 0.78 TGM2 (0.54) STSGPR119
SCHEMBL4736604 0.77 SFRP1 (0.67) CCR8SFRP1BRD4STS
SCHEMBL4883255 0.77 SFRP1 (0.59) CCR8SFRP1BRD4STSMMP13
SCHEMBL4725035 0.77 SFRP1 (0.66) CCR8SFRP1STS

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-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US claimed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP CCR8 966/4885SFRP1 1987/4885BRD4 1829/4885

“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.