SCHEMBL3345982

SCHEMBL3345982

CCOC(=O)c1nc2ccc(-c3cccc(OC(F)(F)F)c3)cc2n(Cc2ccc(OC)cc2OC)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.42
ALOX5AP P20292 3/20 0.42
CTSA P10619 1/20 0.42
MDM2 Q00987 1/20 0.41
PPARG P37231 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
ELANE P08246 2/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MAPT P10636 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
SCHEMBL3475853 0.88 SIRT2 (0.41) PPARDCTSAELANEALDH1A1MAPT
SCHEMBL3350689 0.88 ELANE (0.43) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3347817 0.80 ELANE (0.45) CTSAPPARGELANEMAPTTHRB
SCHEMBL3346238 0.78 KDM4E (0.42) ALOX5APMDM2PPARG
SCHEMBL3352916 0.73 ELANE (0.45) PPARGELANE
SCHEMBL3347869 0.70 FFAR1 (0.47) CTSAPPARGSCD
SCHEMBL3346444 0.70 PPARG (0.42) CTSAPPARGELANEALDH1A1
SCHEMBL3346267 0.69 PPARG (0.49) PPARG
SCHEMBL3473822 0.68 FFAR1 (0.43)
SCHEMBL3474855 0.68 ALDH1A1 (0.49) PPARGCYP1A2CYP3A4CYP2D6CYP2C9

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 PPARD 1537/4885ALOX5AP 1497/4885CTSA 4211/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 PPARD 1537/4885ALOX5AP 1497/4885CTSA 4211/4885

“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.