SCHEMBL2582599

SCHEMBL2582599

O=CNCc1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.47
DAO P14920 1/20 0.43
P2RX7 Q99572 1/20 0.43
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH7 P40394 1/20 0.43
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
PTPN7 P35236 1/20 0.37
DUSP3 P51452 1/20 0.37

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
SCHEMBL3310956 0.87 PTPN7 (0.49) P2RX7ADH1BADH1CADH1AADH7
SCHEMBL3320729 0.86 ADH1B (0.46) KIF11DAOP2RX7ADH1BADH1C
Hydrochloric Acid SCHEMBL4027237 0.85 ADH1B (0.44) KIF11DAOP2RX7ADH1BADH1C
SCHEMBL31502480 0.84 KIF11 (0.51) KIF11DAOP2RX7PPARGPPARD
SCHEMBL3304771 0.80 ADH1B (0.50) DAOADH1BADH1CADH1AADH7
SCHEMBL3637724 0.80 KIF11 (0.51) KIF11DAOP2RX7
SCHEMBL12497617 0.79 IDO1 (0.51) P2RX7ADH1BADH1CADH1AADH7
SCHEMBL5536299 0.79 ADH1B (0.42) ADH1BADH1CADH1AADH7PTPN7
SCHEMBL5546561 0.78 ALDH1A1 (0.41) ADH1BADH1CADH1AADH7PPARG
SCHEMBL13452393 0.78 KIF11 (0.46) KIF11DAOP2RX7PPARGPPARD

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-8557796-B2 Substituted 1-oxa-2,8-diaza-spiro [4,5] dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2013-10-15 US disclosed
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 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-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments P2RX5, P2RX4, P2RX7 KIF11 2786/4885DAO 433/4885P2RX7 3/4885

“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.