SCHEMBL1014039

SCHEMBL1014039

COC(=O)CCc1cc(Br)c(N)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
IDO1 P14902 1/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 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
SCHEMBL1013071 0.84 L3MBTL1 (0.37) KDM4EHSD17B10TP53L3MBTL1TSHR
SCHEMBL27852242 0.84 KDM4E (0.38) HPGDKDM4EHSD17B10TP53ALDH1A1
SCHEMBL4183452 0.83 NPSR1 (0.43) NPSR1HPGDKDM4EHSD17B10ALDH1A1
SCHEMBL2473673 0.83 NPSR1 (0.50) NPSR1HPGDKDM4EHSD17B10ALDH1A1
SCHEMBL12808519 0.82 NPSR1 (0.61) NPSR1HPGDKDM4EHSD17B10ALDH1A1
SCHEMBL1013710 0.80 CFTR (0.41) KDM4EHSD17B10TP53LMNAMAPT
SCHEMBL4190066 0.75 DRD2 (0.37) NPSR1HPGDKDM4ECYP11B1CYP11B2
SCHEMBL5582368 0.75 HPGD (0.50) NPSR1HPGDKDM4EHSD17B10TP53
SCHEMBL1014516 0.75 NPSR1 (0.41) NPSR1HSD17B10ALDH1A1CYP1A2KMT2A
SCHEMBL23048383 0.74 PDE3B (0.50) NPSR1ALDH1A1TSHRPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 NPSR1 3980/4885HPGD 164/4885KDM4E 1591/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B NPSR1 3980/4885HPGD 164/4885KDM4E 1591/4885

“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.