SCHEMBL4450800

SCHEMBL4450800

CCOc1ccc2c(c1)nc(SCCCC(=O)O)n2Cc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSG P08311 2/20 0.49
CMA1 P23946 2/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 2/20 0.48
SLC12A2 P55011 1/20 0.48
SLC12A5 Q9H2X9 1/20 0.48
PTGDR2 Q9Y5Y4 7/20 0.47
HCRTR1 O43613 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
PPARG P37231 1/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
AR P10275 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
SCHEMBL4452004 0.91 CMA1 (0.51) CTSGCMA1POLBKMT2ASLC12A2
SCHEMBL4307028 0.84 SLC12A2 (0.67) CTSGCMA1KMT2ASLC12A2SLC12A5
SCHEMBL4452536 0.83 CMA1 (0.56) CTSGCMA1POLBKMT2ASLC12A2
SCHEMBL7027475 0.83 SLC12A2 (0.66) CTSGCMA1KMT2ASLC12A2SLC12A5
SCHEMBL7027470 0.83 SLC12A2 (0.66) CTSGCMA1KMT2ASLC12A2SLC12A5
SCHEMBL4454921 0.82 SLC12A2 (0.50) CTSGCMA1POLBKMT2ASLC12A2
SCHEMBL4451685 0.82 SLC12A2 (0.50) CTSGCMA1KMT2ASLC12A2SLC12A5
SCHEMBL7028807 0.82 SLC12A2 (0.51) CTSGCMA1KMT2ASLC12A2SLC12A5
SCHEMBL4447511 0.81 SLC12A2 (0.66) CTSGCMA1KMT2ASLC12A2SLC12A5
SCHEMBL7035111 0.79 PTGDR2 (0.69) CTSGCMA1KMT2ASLC12A2SLC12A5

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 CTSG 204/4885CMA1 1/4885POLB 2758/4885
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders PTGIS, PTGIR, GRPR CTSG 1249/4885CMA1 313/4885POLB 911/4885

“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.