SCHEMBL1013071

SCHEMBL1013071

COC(=O)CCc1cc(Br)c(N)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
PGK1 P00558 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
LMNA P02545 2/20 0.36
KAT2B Q92831 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 0.84 NPSR1 (0.42) L3MBTL1KDM4ETP53HSD17B10MAPT
SCHEMBL27852242 0.82 KDM4E (0.38) KDM4ETP53HSD17B10MAPTLMNA
SCHEMBL1013710 0.79 CFTR (0.41) KDM4ETP53HSD17B10MAPTLMNA
SCHEMBL1013029 0.76 EPHX2 (0.46) L3MBTL1HSD17B10MAPTLMNA
SCHEMBL6157993 0.76 L3MBTL1 (0.43) L3MBTL1HSD17B10MAPTLMNA
SCHEMBL27768569 0.74 LMNA (0.41) L3MBTL1HSD17B10MAPTCA12CA1
SCHEMBL3680541 0.73 ALDH1A1 (0.45) KDM4EHSD17B10MAPTCYP11B1CYP11B2
SCHEMBL15287024 0.73 MAPT (0.48) L3MBTL1KDM4EMAPTCYP11B1CYP11B2
SCHEMBL2475205 0.73 L3MBTL1 (0.39) L3MBTL1TP53HSD17B10MAPTCA12
SCHEMBL18982801 0.73 TKT (0.39) L3MBTL1KDM4ETP53HSD17B10MAPT

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 L3MBTL1 1436/4885KDM4E 1591/4885TP53 4654/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B L3MBTL1 1436/4885KDM4E 1591/4885TP53 4654/4885

“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.