SCHEMBL3752748

SCHEMBL3752748

O=C(O)c1c(C(F)(F)F)cc(-c2cccc(F)c2F)nc1Oc1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.38
KMO O15229 2/20 0.37
EIF4E P06730 1/20 0.36
RORC P51449 4/20 0.36
PPARG P37231 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
SCHEMBL3747394 0.91 KMO (0.39) CTSAKMORORC
SCHEMBL3753269 0.91 MAPK10 (0.39) CTSARORC
SCHEMBL3754265 0.82 ALDH1A1 (0.42) CTSARORC
SCHEMBL3752534 0.81 ALDH1A1 (0.41) CTSAKMO
SCHEMBL8202544 0.80 ALDH1A1 (0.35) RORC
SCHEMBL3752343 0.80 GPBAR1 (0.36) RORC
SCHEMBL3755130 0.79 KMO (0.44) CTSAKMOEIF4E
SCHEMBL3752403 0.78 ADORA2A (0.41) KMO
SCHEMBL3752597 0.76 ADORA2A (0.41) KMORORCPPARG
SCHEMBL3752815 0.75 KMO (0.40) CTSAKMORORCPPARG

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 CTSA 2639/4885KMO 533/4885EIF4E 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.