SCHEMBL3752299

SCHEMBL3752299

O=Cc1ccc(-c2cccc(F)c2F)nc1Oc1cc(F)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.36
PDCD1LG2 Q9BQ51 5/20 0.34
CD274 Q9NZQ7 5/20 0.34
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
PPARG P37231 1/20 0.34
HSD17B14 Q9BPX1 1/20 0.33
AMY1A P0DUB6 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
SCHEMBL3751743 0.90 CD274 (0.37) ERN1PDCD1LG2CD274PDE10ACTSL
SCHEMBL3757999 0.90 PPARG (0.35) ERN1PDCD1LG2CD274PDE2APDE10A
SCHEMBL3753274 0.87 PDE2A (0.39) PDCD1LG2CD274PDE2APDE10A
SCHEMBL3754331 0.85 ERN1 (0.42) ERN1PDCD1LG2CD274
SCHEMBL3753273 0.85 CTSA (0.37) ERN1PDCD1LG2CD274PDE2APDE10A
SCHEMBL3749589 0.84 PDCD1LG2 (0.35) ERN1PDCD1LG2CD274PDE2APDE10A
SCHEMBL3752610 0.82 PDE2A (0.38) ERN1PDCD1LG2CD274PDE2APDE10A
SCHEMBL3747192 0.82 MPL (0.40) ERN1PDCD1LG2CD274PDE2APDE10A
SCHEMBL3753385 0.82 HSD11B1 (0.41) ERN1PDCD1LG2CD274CTSLCTSS
SCHEMBL3757716 0.81 EIF4E (0.39) CD274PPARGHSD17B14

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-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

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 ERN1 4268/4885PDCD1LG2 2842/4885CD274 1943/4885

“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.