SCHEMBL3754331

SCHEMBL3754331

COc1ccccc1Oc1nc(-c2cccc(F)c2F)ccc1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.42
CD274 Q9NZQ7 6/20 0.40
PDCD1LG2 Q9BQ51 5/20 0.40
DHPS P49366 2/20 0.40
PDCD1 Q15116 1/20 0.38
NFE2L2 Q16236 1/20 0.37
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
TLR6 Q9Y2C9 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RPS6KA2 Q15349 1/20 0.36
LMNA P02545 2/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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 0.91 CD274 (0.37) ERN1CD274PDCD1LG2PDCD1ALDH1A1
SCHEMBL3753273 0.88 CTSA (0.37) ERN1CD274PDCD1LG2PDCD1LMNA
SCHEMBL3747192 0.87 MPL (0.40) ERN1CD274PDCD1LG2CYP2C9NPSR1
SCHEMBL3749589 0.87 PDCD1LG2 (0.35) ERN1CD274PDCD1LG2L3MBTL1LMNA
SCHEMBL3753385 0.85 HSD11B1 (0.41) ERN1CD274PDCD1LG2PDCD1
SCHEMBL3752299 0.85 ERN1 (0.36) ERN1CD274PDCD1LG2
SCHEMBL3752947 0.84 ERN1 (0.45) ERN1CD274PDCD1LG2TLR2TLR1
SCHEMBL3745420 0.82 ALDH1A1 (0.38) ERN1CD274PDCD1LG2ALDH1A1
SCHEMBL3747290 0.82 ALDH1A1 (0.40) ERN1CD274PDCD1LG2TDP1L3MBTL1
SCHEMBL3757999 0.81 PPARG (0.35) ERN1CD274PDCD1LG2PDCD1ALDH1A1

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

“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.