SCHEMBL4573247

SCHEMBL4573247

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2c[c]ccc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 14/20 0.54
F13A1 P00488 11/20 0.54
TGM1 P22735 8/20 0.54
TGM3 Q08188 1/20 0.47
PKM P14618 1/20 0.44
GPR119 Q8TDV5 3/20 0.44
STS P08842 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
SCHEMBL1180627 0.84 TGM2 (0.60) TGM2F13A1TGM1TGM3PKM
SCHEMBL5746429 0.81 TGM2 (0.62) TGM2F13A1TGM1TGM3PKM
SCHEMBL27742803 0.80 MAPT (0.48) GPR119
SCHEMBL2821609 0.79 TGM2 (0.53) TGM2F13A1TGM1TGM3GPR119
SCHEMBL5747417 0.79 TGM2 (0.56) TGM2F13A1TGM1TGM3PKM
SCHEMBL2821481 0.79 TGM2 (0.55) TGM2F13A1TGM1TGM3
SCHEMBL17808941 0.79 PKM (0.60) TGM2F13A1TGM1PKMSTS
SCHEMBL4573327 0.78 CCR8 (0.52) GPR119STS
SCHEMBL5442111 0.77 TGM2 (0.64) TGM2F13A1TGM1TGM3GPR119
SCHEMBL1181084 0.77 PKM (0.73) TGM2F13A1TGM1PKM

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 TGM2 2637/4885F13A1 3026/4885TGM1 1863/4885

“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.