SCHEMBL3346475

SCHEMBL3346475

CCOC(=O)C(C)c1nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
TDP2 O95551 1/20 0.38
PPARG P37231 1/20 0.38
GSK3B P49841 1/20 0.38
BRD4 O60885 1/20 0.38
ELANE P08246 1/20 0.38
SCN5A Q14524 1/20 0.37
ALOX5 P09917 1/20 0.37
POLB P06746 1/20 0.36
WNT3A P56704 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
SCHEMBL3346444 0.92 PPARG (0.42) ACACBLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL3352916 0.85 ELANE (0.45) ACACBHRH2HRH1SLC5A1SLC5A2
SCHEMBL3376728 0.85 TDP2 (0.42) ACACBSMN1; SMN2TDP2PPARGBRD4
SCHEMBL3473462 0.79 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HPGDTDP2PPARG
SCHEMBL3353025 0.78 PPARG (0.45) TDP2PPARGSCN5A
SCHEMBL3346365 0.78 TDP2 (0.43) SMN1; SMN2TDP2PPARGBRD4SCN5A
SCHEMBL3435619 0.78 TDP2 (0.40) ACACBSMN1; SMN2TDP2PPARGBRD4
SCHEMBL3347817 0.77 ELANE (0.45) PPARGELANE
SCHEMBL3378965 0.76 SCN5A (0.44) SMN1; SMN2ALDH1A1HPGDTDP2PPARG
SCHEMBL3379857 0.76 KDM5A (0.43) PPARG

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-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US claimed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US claimed
WO-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 WO claimed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
WO-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 WO disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US 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 (2 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-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 ACACB 1738/4885HRH2 602/4885HRH1 1028/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 ACACB 1738/4885HRH2 602/4885HRH1 1028/4885

“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.