SCHEMBL3353025

SCHEMBL3353025

Cn1c(=O)c(C(=O)O)nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
DHODH Q02127 3/20 0.44
AURKA O14965 1/20 0.43
TPX2 Q9ULW0 1/20 0.43
HPSE Q9Y251 2/20 0.43
TDP2 O95551 1/20 0.42
KDM5A P29375 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
CHEK2 O96017 1/20 0.41
SCN5A Q14524 1/20 0.40
IDH1 O75874 2/20 0.40
SERPINE1 P05121 1/20 0.40
HPD P32754 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
SCHEMBL3346267 0.90 PPARG (0.49) PPARGDHODH
SCHEMBL3433542 0.88 PPARG (0.46) PPARGAURKATPX2HPSETDP2
SCHEMBL3352916 0.87 ELANE (0.45) PPARGTDP2SCN5AIDH1
SCHEMBL3346365 0.86 TDP2 (0.43) PPARGDHODHAURKATPX2HPSE
SCHEMBL3473865 0.85 TDP2 (0.40) PPARGHPSETDP2KDM5AKDM2B
SCHEMBL3473462 0.84 SMN1; SMN2 (0.47) PPARGTDP2CHEK2SCN5A
SCHEMBL3378965 0.83 SCN5A (0.44) PPARGHPSETDP2SCN5A
SCHEMBL3380246 0.83 HDAC6 (0.56) PPARGIDH1SERPINE1
SCHEMBL3474849 0.83 ALDH1A1 (0.55) TDP2CHEK2
SCHEMBL3435142 0.83 TDP2 (0.41) PPARGDHODHHPSETDP2KDM5A

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-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
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
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 PPARG 1545/4885DHODH 1211/4885AURKA 3215/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 PPARG 1545/4885DHODH 1211/4885AURKA 3215/4885

“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.