SCHEMBL3340790

SCHEMBL3340790

COC(=O)c1cnc(-c2ccc(F)cc2F)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.53
DHODH Q02127 1/20 0.47
KMO O15229 2/20 0.45
TGFBR1 P36897 1/20 0.42
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
P2RX7 Q99572 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SCN9A Q15858 2/20 0.39
MAPK14 Q16539 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 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
SCHEMBL3342567 0.84 ALPL (0.46) ALPLDHODHKMOTGFBR1SLC6A4
SCHEMBL3341989 0.81 TGFBR1 (0.41) ALPLDHODHKMOTGFBR1SLC6A4
SCHEMBL17239513 0.80 NTRK1 (0.43) ALPLDHODHTGFBR1SLC6A4SLC6A3
SCHEMBL3342506 0.76 KMO (0.48) KMOSLC6A4SLC6A3NPC1RAB9A
SCHEMBL24985716 0.75 ALPL (0.54) ALPLDHODHKMONPC1RAB9A
SCHEMBL17239486 0.75 NTRK1 (0.51)
SCHEMBL3345586 0.75 SYK (0.49) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1939029 0.75 KMO (0.70) ALPLDHODHKMONPC1RAB9A
SCHEMBL29141527 0.75 KDM4E (0.58) ALPLKMONPC1RAB9AMAPT
SCHEMBL4251045 0.75 L3MBTL1 (0.53) ALPLTGFBR1SLC6A4SLC6A3MAPT

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-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-06-24 US disclosed
US-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-06-24 US disclosed
US-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-06-24 US disclosed
WO-2008031500-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS 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-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS PPARA, PPARD, PPARG ALPL 2813/4885DHODH 3009/4885KMO 1885/4885

“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.