SCHEMBL1789973

SCHEMBL1789973

CC[C@@H](NC(=O)C(F)(F)F)c1ccc(S(=O)(=O)NC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.45
EEF2K O00418 1/20 0.43
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
CNR1 P21554 2/20 0.40
HPGD P15428 1/20 0.40
USP30 Q70CQ3 4/20 0.40
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL1789975 1.00 KCNA5 (0.45) KCNA5EEF2KALDH1A1CYP3A4CYP2C9
SCHEMBL12611634 0.83 ALDH1A1 (0.43) KCNA5EEF2KALDH1A1CYP3A4CYP2C9
SCHEMBL1792013 0.80 USP30 (0.37) KCNA5ALDH1A1USP30
SCHEMBL1792014 0.80 USP30 (0.37) KCNA5ALDH1A1USP30
SCHEMBL15092712 0.76 PKM (0.48) ALDH1A1CYP3A4CYP2C9LMNASMN1; SMN2
SCHEMBL957923 0.76 PKM (0.48) ALDH1A1CYP3A4CYP2C9LMNASMN1; SMN2
SCHEMBL1312509 0.76 ALDH1A1 (0.44) KCNA5ALDH1A1CYP3A4CYP2C9LMNA
SCHEMBL12117846 0.76 ALDH1A1 (0.44) KCNA5ALDH1A1CYP3A4CYP2C9LMNA
SCHEMBL12279422 0.76 ALDH1A1 (0.44) KCNA5ALDH1A1CYP3A4CYP2C9LMNA
SCHEMBL957924 0.76 PKM (0.48) ALDH1A1CYP3A4CYP2C9LMNASMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536187-B2 2,4,6-trisubstituted pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2013-09-17 US disclosed
US-8536187-B2 2,4,6-trisubstituted pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2013-09-17 US disclosed
US-8536187-B2 2,4,6-trisubstituted pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2013-09-17 US disclosed
US-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2011-05-26 US disclosed
US-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2011-05-26 US disclosed
US-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2011-05-26 US disclosed
WO-2010002998-A1 2,4,6-TRISUBSTITUTED PYRIDO (3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-01-07 WO disclosed
WO-2010002998-A1 2,4,6-TRISUBSTITUTED PYRIDO (3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-01-07 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-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, CYP2S1, DPYD KCNA5 2744/4885EEF2K 4744/4885ALDH1A1 732/4885

“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.