SCHEMBL1788802

SCHEMBL1788802

CC(C)(C)NS(=O)(=O)c1cc(CN)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 1/20 0.38
CYP19A1 P11511 1/20 0.38
ALDH1A1 P00352 4/20 0.37
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36
APH1A Q96BI3 3/20 0.36
PSENEN Q9NZ42 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL5003464 0.86 SMN1; SMN2 (0.51) SMN1; SMN2LMNAMAPTKDM4EMEN1
SCHEMBL29213152 0.84 SMN1; SMN2 (0.49) SMN1; SMN2LMNAMAPTKDM4EMEN1
SCHEMBL26922887 0.80 LOXL2 (0.41) PPARGCYP2D6
SCHEMBL1789476 0.79 ALDH1A1 (0.44) SMN1; SMN2LMNAMAPTKDM4EMEN1
Hydrochloric Acid SCHEMBL30468417 0.73 MAPT (0.61) SMN1; SMN2LMNAMAPTKDM4EMEN1
Hydrochloric Acid SCHEMBL29051918 0.73 MAPT (0.61) SMN1; SMN2LMNAMAPTKDM4EMEN1
SCHEMBL16477696 0.72 CA1 (0.66) SMN1; SMN2LMNAMAPTKDM4EMEN1
SCHEMBL12075868 0.71 CYP3A4 (0.42) LMNAPPARGCYP19A1ALDH1A1PSEN1
SCHEMBL42797 0.71 IDO1 (0.58)
SCHEMBL15946356 0.71 ALDH1A1 (0.56) SMN1; SMN2LMNAMAPTKDM4EMEN1

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 3 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-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

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 SMN1; SMN2 2166/4885LMNA 723/4885MAPT 2402/4885

“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.