SCHEMBL785295

SCHEMBL785295

CC(C)CC(=O)NC1CCCc2ccc(C(=O)O)cc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAOK3 Q9H2K8 4/20 0.47
HTT P42858 1/20 0.47
CTSS P25774 1/20 0.47
CFD P00746 1/20 0.47
ALDH1A1 P00352 4/20 0.46
TAOK1 Q7L7X3 3/20 0.46
DHODH Q02127 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL788668 1.00 TAOK3 (0.47) TAOK3HTTCTSSCFDALDH1A1
SCHEMBL785600 0.93 PDE4A (0.42) TAOK3HTTCTSSCFDALDH1A1
SCHEMBL784523 0.93 PDE4A (0.42) TAOK3HTTCTSSCFDALDH1A1
SCHEMBL803222 0.88 KMT2A (0.54) TAOK3HTTALDH1A1TAOK1DHODH
SCHEMBL784946 0.83 PDE4A (0.41) TAOK3HTTCTSSALDH1A1TAS1R3
SCHEMBL784442 0.83 PDE4A (0.41) TAOK3HTTCTSSALDH1A1TAS1R3
SCHEMBL785709 0.83 CA12 (0.43) TAOK3HTTCFDALDH1A1TAOK1
SCHEMBL785070 0.83 CA12 (0.43) TAOK3HTTCFDALDH1A1TAOK1
SCHEMBL13918277 0.81 ALDH1A1 (0.69) HTTALDH1A1L3MBTL1PLA2G1BATG4B
SCHEMBL803556 0.81 KMT2A (0.47) TAOK3ALDH1A1DHODHL3MBTL1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 (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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 TAOK3 2233/4885HTT 2709/4885CTSS 824/4885

“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.