SCHEMBL17754455

SCHEMBL17754455

O=S(=O)(Oc1ccc2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc2c1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.41
PPARA Q07869 8/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARD Q03181 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 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
SCHEMBL9988773 0.92 CA1 (0.46) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL17655963 0.90 PPARG (0.41) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL19939382 0.89 CA1 (0.41) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL12074941 0.86 CA1 (0.42) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL12074737 0.86 PPARG (0.40) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL9989085 0.85 SCN9A (0.48) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL12074743 0.83 PPARG (0.44) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL15205251 0.82 PPARG (0.47) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL17060315 0.82 PPARG (0.43) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL16408379 0.81 ADORA2A (0.38) PPARGPPARACYP2C9CYP2C19PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002282-B1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2019-01-02 EP disclosed
US-9882145-B2 Hetero ring compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2018-01-30 US disclosed
US-9882145-B2 Hetero ring compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2018-01-30 US disclosed
US-20160141514-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-05-19 US disclosed
US-20160141514-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-05-19 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 (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-20160141514-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CRY2, PER2 PPARG 1418/4885PPARA 2185/4885CYP2C9 571/4885

“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.