SCHEMBL3752534

SCHEMBL3752534

Cc1ccc(-c2cc(C(F)(F)F)c(C(=O)O)c(Oc3ccccc3Cl)n2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMO O15229 5/20 0.41
CTSA P10619 1/20 0.39
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
CYP11B2 P19099 1/20 0.35
SCN9A Q15858 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
SCHEMBL3749684 0.91 ALDH1A1 (0.41) ALDH1A1L3MBTL1KMOCTSATP53
SCHEMBL3754265 0.88 ALDH1A1 (0.42) ALDH1A1L3MBTL1CTSAMAPTNPSR1
SCHEMBL3752748 0.81 CTSA (0.38) KMOCTSA
SCHEMBL831013 0.81 KMO (0.45) ALDH1A1L3MBTL1KMOAKR1B10AKR1C4
SCHEMBL3745600 0.81 KMO (0.47) ALDH1A1KMOCTSAMAPTNPSR1
SCHEMBL829626 0.81 ALDH1A1 (0.50) ALDH1A1L3MBTL1KMOMAPTAKR1B10
SCHEMBL3757232 0.79 ALDH1A1 (0.42) ALDH1A1L3MBTL1CTSASCN9A
SCHEMBL3747394 0.78 KMO (0.39) KMOCTSANPSR1AKR1C3AKR1C2
SCHEMBL830072 0.78 XDH (0.45) ALDH1A1L3MBTL1KMOAKR1B10AKR1C4
SCHEMBL832823 0.77 KMO (0.42) ALDH1A1L3MBTL1KMOAKR1B10AKR1C4

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
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 ALDH1A1 1855/4885L3MBTL1 2518/4885KMO 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.