SCHEMBL4573350

SCHEMBL4573350

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
F10 P00742 1/20 0.41
HTR1A P08908 2/20 0.39
HTR7 P34969 2/20 0.39
MCOLN3 Q8TDD5 1/20 0.38
UCHL1 P09936 1/20 0.37
USP30 Q70CQ3 1/20 0.37
ACLY P53396 2/20 0.36
DRD2 P14416 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL15018957 0.84 ALDH1A1 (0.54) ALDH1A1L3MBTL1HTR1AHTR7MCOLN3
SCHEMBL4573343 0.78 STS (0.53) ALDH1A1L3MBTL1
SCHEMBL4573288 0.78 ALDH1A1 (0.48) ALDH1A1L3MBTL1HTR1AHTR7MCOLN3
SCHEMBL24667090 0.78 DRD2 (0.53) ALDH1A1L3MBTL1F10HTR1AHTR7
SCHEMBL4573045 0.77 LMNA (0.49) ALDH1A1L3MBTL1
SCHEMBL4573733 0.73 ALDH1A1 (0.43) ALDH1A1L3MBTL1
SCHEMBL15019098 0.71 BRD4 (0.47) ALDH1A1L3MBTL1MCOLN3
SCHEMBL14924007 0.71 UCHL1 (0.63) ALDH1A1HTR1AHTR7MCOLN3UCHL1
SCHEMBL20466386 0.71 CTSB (0.55) ALDH1A1HTR1AHTR7UCHL1USP30
SCHEMBL14924429 0.70 ALDH1A1 (0.63) ALDH1A1HTR1AHTR7UCHL1USP30

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 6 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US claimed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO 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 ALDH1A1 1142/4885L3MBTL1 2661/4885F10 3546/4885

“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.