SCHEMBL4573343

SCHEMBL4573343

CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2c[c]ccc2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STS P08842 6/20 0.53
CCR8 P51685 1/20 0.52
BRD4 O60885 1/20 0.49
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SFRP1 Q8N474 4/20 0.47
GPR119 Q8TDV5 1/20 0.45
EPHX2 P34913 2/20 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
SCHEMBL4573327 0.87 CCR8 (0.52) STSCCR8BRD4ALDH1A1NPC1
SCHEMBL4573937 0.82 BRD4 (0.50) STSCCR8BRD4ALDH1A1NPC1
SCHEMBL4734558 0.81 STS (0.57) STSCCR8BRD4ALDH1A1NPC1
SCHEMBL4783289 0.81 STS (0.63) STSCCR8BRD4ALDH1A1NPC1
SCHEMBL4734403 0.80 STS (0.54) STSCCR8BRD4SFRP1GPR119
SCHEMBL7533683 0.80 STS (0.73) STSCCR8BRD4ALDH1A1NPC1
SCHEMBL15018957 0.79 ALDH1A1 (0.54) BRD4ALDH1A1MAPTMAPK1HTT
SCHEMBL4573350 0.78 ALDH1A1 (0.43) ALDH1A1L3MBTL1
SCHEMBL4732458 0.78 CCR8 (0.55) STSCCR8BRD4SFRP1GPR119
SCHEMBL4618399 0.78 SFRP1 (0.70) CCR8SFRP1

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 STS 2681/4885CCR8 966/4885BRD4 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.