SCHEMBL3763489

SCHEMBL3763489

Cc1ccc(-c2nc(Oc3ccccc3Cl)c(C(=O)O)cc2F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSA P10619 3/20 0.44
IDO1 P14902 1/20 0.41
KMO O15229 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DHODH Q02127 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL13054043 0.89 IDO1 (0.49) IDO1MAPTALDH1A1NPSR1DHODH
SCHEMBL13054041 0.87 AKR1C2 (0.44) CTSAIDO1MAPTALDH1A1NPSR1
SCHEMBL5126654 0.86 TDP1 (0.51) KMOMAPTALDH1A1NPSR1HTT
SCHEMBL3745600 0.86 KMO (0.47) CTSAIDO1KMOMAPTALDH1A1
SCHEMBL3753412 0.85 DHODH (0.42) CTSAIDO1DHODH
SCHEMBL3747116 0.83 RORB (0.46) CTSAALDH1A1DHODHHTT
SCHEMBL3342587 0.78 KMO (0.47) IDO1KMO
SCHEMBL3759839 0.77 HPGDS (0.42) CTSAKMOMAPTALDH1A1NPSR1
SCHEMBL5125877 0.77 TDP1 (0.56) MAPTALDH1A1NPSR1HTT
SCHEMBL5277030 0.77 L3MBTL1 (0.43) CTSAKMOMAPTALDH1A1NPSR1

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 2639/4885IDO1 1372/4885KMO 533/4885

“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.