SCHEMBL3757989

SCHEMBL3757989

O=C(O)c1ccc(-c2cccc(F)c2F)nc1Oc1ccc(OC(F)(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.41
FFAR4 Q5NUL3 3/20 0.39
EIF4E P06730 2/20 0.38
FFAR1 O14842 2/20 0.38
RIPK1 Q13546 1/20 0.38
SCN9A Q15858 5/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
DHODH Q02127 2/20 0.38
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 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
SCHEMBL3762159 0.89 KDM4E (0.42) MRGPRX4EIF4E
SCHEMBL3747380 0.84 CBFB (0.35) MRGPRX4FFAR4FFAR1RIPK1SCN9A
SCHEMBL3752315 0.83 MPL (0.40) RIPK1SCN9ADHODH
SCHEMBL3755130 0.83 KMO (0.44) EIF4EDHODH
SCHEMBL3754181 0.82 PLG (0.43) EIF4EAKR1C2
SCHEMBL3750445 0.81 EIF4E (0.43) EIF4ESCN9ADHODH
SCHEMBL3758381 0.81 MRGPRX4 (0.42) MRGPRX4EIF4ESCN9A
SCHEMBL3753505 0.78 ALDH1A1 (0.43) EIF4EDHODH
SCHEMBL3758001 0.78 PLAU (0.43) EIF4EDHODH
SCHEMBL3747340 0.77 KDM4E (0.44) MRGPRX4EIF4ESCN9APPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
WO-2008031501-A2 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-20 WO 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-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF NAPRT, PNPO, FABP3 MRGPRX4 4532/4885FFAR4 279/4885EIF4E 3817/4885

“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.