SCHEMBL4802020

SCHEMBL4802020

O=C(c1c(Cl)cccc1Cl)N(C(=O)c1c(Cl)cccc1Cl)c1ccc(CBr)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.43
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FEN1 P39748 1/20 0.33
ITGB1 P05556 4/20 0.32
ITGA5 P08648 4/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
ALDH2 P05091 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL4798192 0.87 TRPM8 (0.44) TRPM8ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL6742389 0.78 TRPM8 (0.40) TRPM8ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL2637433 0.76 CES2 (0.38) ALDH1A1MAPTKMT2ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL6740643 0.75 ITGB1 (0.40) TRPM8ALDH1A1ITGB1ITGA5ITGB3
SCHEMBL7484451 0.69 MAPT (0.34) TRPM8MAPTSMN1; SMN2RAB9APOLB
SCHEMBL2028760 0.68 SYK (0.36) CYP4F2CYP4A11
SCHEMBL7264576 0.67 CES2 (0.52) ALDH1A1SMN1; SMN2HPGDNPSR1FEN1
SCHEMBL2215212 0.64 AOC3 (0.36) ALDH1A1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL27542584 0.63 POLB (0.36) ALDH1A1KMT2ASMN1; SMN2POLBMEN1
SCHEMBL792607 0.63 JAK2 (0.42) TRPM8ALDH1A1KMT2AMEN1GAA

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-7361679-B2 2-phenyl-3-heteroarylpropionic acid derivative or salt thereof and medicine containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-04-22 US disclosed
US-7361679-B2 2-phenyl-3-heteroarylpropionic acid derivative or salt thereof and medicine containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-04-22 US disclosed
US-7361679-B2 2-phenyl-3-heteroarylpropionic acid derivative or salt thereof and medicine containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-04-22 US disclosed
US-20040259908-A1 2-phenyl-3-heteroarylpropionic acid derivative or salt thereof and medicine containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2004-12-23 US disclosed
EP-1426360-A1 2-PHENYL-3-HETEROARYLPROPIONIC ACID DERIVATIVE OR SALT THEREOF AND MEDICINE CONTAINING THE SAME Kaken Pharmaceutical Co., Ltd. (JP) 2004-06-09 EP 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-20040259908-A1 2-phenyl-3-heteroarylpropionic acid derivative or salt thereof and medicine containing the same LPAR4, LPAR2, LPAR1 TRPM8 1038/4885ALDH1A1 486/4885MAPT 3274/4885

“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.