SCHEMBL4573045

SCHEMBL4573045

CC(C)N1CCN(S(=O)(=O)c2c[c]ccc2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TRPV4 Q9HBA0 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CNR2 P34972 1/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL6070145 0.84 L3MBTL1 (0.55) LMNATSHRCYP3A4ALDH1A1L3MBTL1
SCHEMBL3279180 0.78 KMT2A (0.49) LMNATSHRALDH1A1L3MBTL1POLB
SCHEMBL4573350 0.77 ALDH1A1 (0.43) ALDH1A1L3MBTL1
SCHEMBL3404662 0.74 GAA (0.49) LMNAGAATSHRALDH1A1L3MBTL1
SCHEMBL17838712 0.71 KDM4E (0.41) LMNAGAATSHRCYP3A4CYP2D6
SCHEMBL27952384 0.69 HSD11B1 (0.33) LMNAALDH1A1L3MBTL1
SCHEMBL10037141 0.69 ACLY (0.58) LMNAGAAALDH1A1
SCHEMBL25442196 0.68 LMNA (0.73) LMNAGAATSHRTRPV4HRH3
SCHEMBL3279540 0.68 ALDH1A1 (0.55) LMNATSHRCYP3A4ALDH1A1L3MBTL1
SCHEMBL27734467 0.68 L3MBTL1 (0.46) LMNATSHRCYP3A4ALDH1A1L3MBTL1

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 LMNA 879/4885GAA 4185/4885TSHR 1736/4885

“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.