SCHEMBL1016308

SCHEMBL1016308

COC(=O)CCc1ccc(N)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.47
GAA P10253 3/20 0.41
TSHR P16473 2/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
EPHX2 P34913 6/20 0.40
APP P05067 1/20 0.39
CFTR P13569 2/20 0.37
S1PR1 P21453 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NOTUM Q6P988 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 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
SCHEMBL25756877 0.89 S1PR1 (0.43) NR1H2GAATSHRGLAPOLB
SCHEMBL23465487 0.86 NR1H2 (0.42) NR1H2GAATSHRGLAPOLB
SCHEMBL5113092 0.86 CYP4F2 (0.47) NR1H2GAATSHRGLAPOLB
SCHEMBL7708931 0.85 NR1H2 (0.46) NR1H2GAATSHRGLAPOLB
SCHEMBL9886215 0.84 IDO1 (0.49) EPHX2
SCHEMBL1629235 0.83 POLQ (0.48) EPHX2ALDH1A1LMNAMAPTHTT
SCHEMBL16736523 0.83 EGFR (0.43) EPHX2APPKMT2AHSD17B10LMNA
SCHEMBL2131234 0.80 TKT (0.41) GAATSHRALDH1A1KMT2AHSD17B10
SCHEMBL1014516 0.79 NPSR1 (0.41) GAATSHRALDH1A1KMT2AHSD17B10
SCHEMBL21015416 0.79 EPHX2 (0.51) GAATSHRPOLBEPHX2ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104710365-A Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORP 2015-06-17 CN disclosed
US-8772327-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2014-07-08 US disclosed
US-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF MORITA KOHEI (JP) 2013-05-23 US disclosed
US-8334314-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-12-18 US disclosed
CN-102015656-A Phenylpropionic acid derivatives and use thereof ASAHI KASEI PHARMA CORP 2011-04-13 CN disclosed
EP-2272832-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-01-12 EP disclosed
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2010-04-15 US 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 (2 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-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B NR1H2 424/4885GAA 840/4885TSHR 4126/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B NR1H2 424/4885GAA 840/4885TSHR 4126/4885

“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.