SCHEMBL3749422

SCHEMBL3749422

Cc1ccc(-c2ccc(C(=O)O)c(Oc3ccc(Br)cc3F)n2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.49
KMO O15229 3/20 0.47
EPRS1 P07814 3/20 0.43
SORT1 Q99523 1/20 0.38
RARA P10276 2/20 0.37
RARB P10826 2/20 0.37
RARG P13631 2/20 0.37
AURKA O14965 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGFR P43088 1/20 0.36
CFD P00746 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
SCHEMBL3757979 0.87 KMO (0.41) RXFP1KMOEPRS1SMN1; SMN2
SCHEMBL3745600 0.80 KMO (0.47) KMO
SCHEMBL3749594 0.79 KMO (0.44) KMOSMN1; SMN2
SCHEMBL3752002 0.77 KMO (0.44) KMOSMN1; SMN2
SCHEMBL3758452 0.74 KMO (0.58) RXFP1KMOEPRS1RARARARB
SCHEMBL3759839 0.72 HPGDS (0.42) KMO
SCHEMBL3747199 0.70 SMN1; SMN2 (0.42) RXFP1KMOSMN1; SMN2
SCHEMBL3747338 0.68 SMN1; SMN2 (0.42) RXFP1KMOSMN1; SMN2
SCHEMBL3759878 0.68 ALDH1A1 (0.39) EPRS1PTGFR
SCHEMBL13054024 0.68 ALDH1A1 (0.43) KMORARARARBRARGSMN1; SMN2

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 RXFP1 2024/4885KMO 533/4885EPRS1 2973/4885

“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.