SCHEMBL16616039

SCHEMBL16616039

OCc1cc(F)cc(OC(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
EPAS1 Q99814 1/20 0.45
FFAR4 Q5NUL3 3/20 0.41
MRGPRX4 Q96LA9 1/20 0.37
CETP P11597 4/20 0.35
PPARA Q07869 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
GPR3 P46089 1/20 0.34
PPM1A P35813 1/20 0.33
IDO1 P14902 1/20 0.32
ACHE P22303 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL2089811 0.88 FFAR4 (0.44) CYP4F2CYP4A11FFAR4MRGPRX4CETP
SCHEMBL17703932 0.85 FFAR4 (0.39) CYP4F2CYP4A11EPAS1FFAR4MRGPRX4
SCHEMBL18355880 0.83 CYP4F2 (0.57) CYP4F2CYP4A11EPAS1FFAR4PPARA
SCHEMBL12886256 0.82 FFAR4 (0.40) CYP4F2CYP4A11FFAR4MRGPRX4CETP
SCHEMBL16959216 0.81 FFAR4 (0.43) CYP4F2CYP4A11FFAR4MRGPRX4CETP
SCHEMBL16234319 0.81 FFAR4 (0.39) CYP4F2CYP4A11FFAR4MRGPRX4CETP
SCHEMBL10980628 0.81 FFAR4 (0.39) CYP4F2CYP4A11EPAS1FFAR4MRGPRX4
SCHEMBL27377068 0.81 ACHE (0.52) CYP4F2CYP4A11FFAR4MRGPRX4CETP
SCHEMBL25372383 0.79 FFAR4 (0.42) CYP4F2CYP4A11FFAR4MRGPRX4CETP
SCHEMBL3305019 0.79 FFAR4 (0.40) CYP4F2CYP4A11EPAS1FFAR4MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339570-A1 BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHE INC. (US) 2020-04-28 US disclosed
EP-2900669-B1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES HOFFMANN LA ROCHE (CH) 2019-09-04 EP disclosed
US-20170050960-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-02-23 US disclosed
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2017-02-02 US disclosed
EP-2861566-B1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN LA ROCHE (CH) 2016-12-21 EP disclosed
US-9493486-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHES INC. (US) 2016-11-15 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2015-04-09 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 (5 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-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE ENPP2, DAPK1, DAPK2 CYP4F2 3171/4885CYP4A11 3675/4885EPAS1 1804/4885
US-20170050960-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB CYP4F2 370/4885CYP4A11 61/4885EPAS1 3571/4885
US-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB CYP4F2 346/4885CYP4A11 58/4885EPAS1 3725/4885
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane ENPP2, DAPK1, DAPK2 CYP4F2 2291/4885CYP4A11 3142/4885EPAS1 1716/4885
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE DAPK2, DAPK1, IDH3A CYP4F2 349/4885CYP4A11 356/4885EPAS1 3321/4885

“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.