SCHEMBL785709

SCHEMBL785709

CC(C)CC(=O)NC1CCc2cc(C(=O)O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.43
CA7 P43166 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
CFD P00746 1/20 0.42
BDKRB1 P46663 4/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
SRD5A2 P31213 1/20 0.40
TAOK3 Q9H2K8 2/20 0.39
TAOK1 Q7L7X3 1/20 0.39
KCNA5 P22460 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL785070 1.00 CA12 (0.43) CA12CA7CA14CA1CA2
SCHEMBL784523 0.90 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DCFD
SCHEMBL785600 0.90 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DCFD
SCHEMBL803498 0.88 KMT2A (0.47) CA12CA7CA14CA1CA2
SCHEMBL788668 0.83 TAOK3 (0.47) CFDTAS1R3TAS1R1TAOK3TAOK1
SCHEMBL785295 0.83 TAOK3 (0.47) CFDTAS1R3TAS1R1TAOK3TAOK1
SCHEMBL2660354 0.82 ALDH1A1 (0.43) CA12CA7CA14CA1CA2
SCHEMBL784442 0.81 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL784946 0.81 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DTAS1R3
Isophthalic Acid SCHEMBL27902565 0.80 ROCK2 (0.43) TAOK3TAOK1LMNA

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 CA12 4625/4885CA7 3305/4885CA14 4680/4885

“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.