SCHEMBL1013710

SCHEMBL1013710

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CFTR P13569 15/20 0.41
NOTUM Q6P988 2/20 0.40
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
APP P05067 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
SCHEMBL1014039 0.80 NPSR1 (0.42) LMNAMAPTKDM4ETP53HSD17B10
SCHEMBL1013071 0.79 L3MBTL1 (0.37) LMNAMAPTKDM4ETP53HSD17B10
SCHEMBL27852242 0.79 KDM4E (0.38) LMNAMAPTSMN1; SMN2KDM4ETP53
SCHEMBL1016308 0.78 NR1H2 (0.47) CFTRNOTUMLMNAMAPTKDM4E
SCHEMBL16736523 0.78 EGFR (0.43) NOTUMLMNAMAPTSMN1; SMN2KDM4E
SCHEMBL15287109 0.75 P2RX7 (0.44) NOTUMLMNASMN1; SMN2KDM4E
SCHEMBL9886215 0.73 IDO1 (0.49)
SCHEMBL21032173 0.73 CFTR (0.60) CFTRNOTUMMAPTKDM4EHSD17B10
SCHEMBL5429112 0.72 PPARD (0.42) CFTRNOTUMMAPTSMN1; SMN2KDM4E
SCHEMBL1629235 0.72 POLQ (0.48) LMNAMAPTKDM4E

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 6 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
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 CFTR 2485/4885NOTUM 1047/4885LMNA 2336/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B CFTR 2485/4885NOTUM 1047/4885LMNA 2336/4885

“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.