SCHEMBL5124845

SCHEMBL5124845

CCCOc1cc(C)c(C(=O)OC)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
ALOX15 P16050 2/20 0.43
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 6/20 0.40
TP53 P04637 1/20 0.39
ALDH1A1 P00352 7/20 0.38
HPGD P15428 4/20 0.38
KDM4E B2RXH2 3/20 0.38
NFKB1 P19838 3/20 0.38
NFKB2 Q00653 3/20 0.38
RELA Q04206 3/20 0.38
MEN1 O00255 4/20 0.38
HSD17B10 Q99714 3/20 0.38
TSHR P16473 2/20 0.38
PKM P14618 1/20 0.37
STAT1 P42224 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL10861251 0.87 KMT2A (0.44) MAPTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL10860870 0.86 MAPT (0.43) MAPTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL4972435 0.83 KMT2A (0.41) MAPTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL10857094 0.82 MAPT (0.40) MAPTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL5000071 0.80 ALOX15 (0.41) MAPTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL10857100 0.80 MAPT (0.39) MAPTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL4971270 0.78 ALOX15 (0.34) MAPTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL10857097 0.75 KMT2A (0.51) SMN1; SMN2HTTKMT2AALDH1A1KDM4E
SCHEMBL2027674 0.73 MAPT (0.47) MAPTALOX15NPC1RAB9ASMN1; SMN2
Succinimide SCHEMBL4975379 0.73 KMT2A (0.37) MAPTNPC1RAB9ASMN1; SMN2HTT

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
WO-2008115912-A1 REGIO-SPECIFIC SYNTHESIS OF 4-BROMO-3-METHYL-5-PROPOXY-THIOPHENE-2-CARBOXYLIC ACID SANOFI-AVENTIS (FR) 2008-09-25 WO disclosed
WO-2008115912-A1 REGIO-SPECIFIC SYNTHESIS OF 4-BROMO-3-METHYL-5-PROPOXY-THIOPHENE-2-CARBOXYLIC ACID SANOFI-AVENTIS (FR) 2008-09-25 WO disclosed
US-20070142435-A1 [4-(5-Aminomethyl-2-fluoro-phenyl)-piperidin-1-yl]-(4-bromo-3-methyl-5-propoxy-thiophen-2-yl)-methanone hydrochloride as an inhibitor of mast cell tryptase AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US disclosed
US-20070142435-A1 [4-(5-Aminomethyl-2-fluoro-phenyl)-piperidin-1-yl]-(4-bromo-3-methyl-5-propoxy-thiophen-2-yl)-methanone hydrochloride as an inhibitor of mast cell tryptase AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US disclosed
US-20070142435-A1 [4-(5-Aminomethyl-2-fluoro-phenyl)-piperidin-1-yl]-(4-bromo-3-methyl-5-propoxy-thiophen-2-yl)-methanone hydrochloride as an inhibitor of mast cell tryptase AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US disclosed
EP-1737848-A1 [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(4-BROMO-3-METHYL-5-PROPOXY-THIOPHEN-2-YL)-METHANONE HYDROCHLORIDE AS AN INHIBITOR OF MAST CELL TRYPTASE Aventis Pharmaceuticals Inc. (US) 2007-01-03 EP disclosed
WO-2005097780-A1 [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(4-BROMO-3-METHYL-5-PROPOXY-THIOPHEN-2-YL)-METHANONE HYDROCHLORIDE AS AN INHIBITOR OF MAST CELL TRYPTASE AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 WO 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-20070142435-A1 [4-(5-Aminomethyl-2-fluoro-phenyl)-piperidin-1-yl]-(4-bromo-3-methyl-5-propoxy-thiophen-2-yl)-methanone hydrochloride as an inhibitor of mast cell tryptase CMA1, TPSAB1, TPSB2 MAPT 2671/4885ALOX15 1242/4885NPC1 738/4885

“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.