SCHEMBL4452536

SCHEMBL4452536

Cc1cc2nc(SCCCC(=O)O)n(Cc3cccc4ccccc34)c2cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 3/20 0.56
CTSG P08311 2/20 0.56
KMT2A Q03164 2/20 0.51
SLC12A2 P55011 1/20 0.51
SLC12A5 Q9H2X9 1/20 0.51
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
PTGDR2 Q9Y5Y4 8/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
TP53 P04637 1/20 0.44
HCRTR1 O43613 1/20 0.42

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
SCHEMBL7036120 0.89 PTGDR2 (0.55) CMA1CTSGKMT2ASLC12A2SLC12A5
SCHEMBL4454301 0.88 CTSG (0.61) CMA1CTSGKMT2ASLC12A2SLC12A5
SCHEMBL7028807 0.88 SLC12A2 (0.51) CMA1CTSGKMT2ASLC12A2SLC12A5
SCHEMBL4307028 0.87 SLC12A2 (0.67) CMA1CTSGKMT2ASLC12A2SLC12A5
SCHEMBL7027475 0.86 SLC12A2 (0.66) CMA1CTSGKMT2ASLC12A2SLC12A5
SCHEMBL7027470 0.86 SLC12A2 (0.66) CMA1CTSGKMT2ASLC12A2SLC12A5
SCHEMBL5620546 0.86 CMA1 (0.54) CMA1CTSGKMT2ASLC12A2SLC12A5
SCHEMBL5622059 0.85 CMA1 (0.67) CMA1CTSGKMT2AL3MBTL1PTGDR2
SCHEMBL4452004 0.85 CMA1 (0.51) CMA1CTSGKMT2ASLC12A2SLC12A5
SCHEMBL4447511 0.84 SLC12A2 (0.66) CMA1CTSGKMT2ASLC12A2SLC12A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders MICROBIA, INC. (US) 2009-02-26 US disclosed
US-20030083315-A1 Human chymase inhibitors TEIJIN LIMITED (JP) 2003-05-01 US disclosed
EP-1167360-A9 HUMAN CHYMASE INHIBITORS TEIJIN LIMITED (JP) 2002-05-15 EP disclosed
EP-1167360-A1 HUMAN CHYMASE INHIBITORS TEIJIN LIMITED (JP) 2002-01-02 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 (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-20030083315-A1 Human chymase inhibitors CMA1, CTRL, CPA4 CMA1 1/4885CTSG 204/4885KMT2A 2450/4885
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders PTGIS, PTGIR, GRPR CMA1 313/4885CTSG 1249/4885KMT2A 4822/4885

“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.