SCHEMBL4452004

SCHEMBL4452004

COc1ccc2c(c1)nc(SCCCC(=O)O)n2Cc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 3/20 0.51
CTSG P08311 2/20 0.51
SLC12A2 P55011 1/20 0.50
KMT2A Q03164 1/20 0.50
SLC12A5 Q9H2X9 1/20 0.50
HPGD P15428 1/20 0.47
PTGDR2 Q9Y5Y4 5/20 0.47
TP53 P04637 3/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2E1 P05181 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 1/20 0.43

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
SCHEMBL4450800 0.91 CTSG (0.49) CMA1CTSGSLC12A2KMT2ASLC12A5
SCHEMBL5394415 0.86 CMA1 (0.61) CMA1CTSGPTGDR2TP53POLB
SCHEMBL4307028 0.85 SLC12A2 (0.67) CMA1CTSGSLC12A2KMT2ASLC12A5
SCHEMBL4452536 0.85 CMA1 (0.56) CMA1CTSGSLC12A2KMT2ASLC12A5
SCHEMBL7027470 0.85 SLC12A2 (0.66) CMA1CTSGSLC12A2KMT2ASLC12A5
SCHEMBL7027475 0.85 SLC12A2 (0.66) CMA1CTSGSLC12A2KMT2ASLC12A5
SCHEMBL4451685 0.84 SLC12A2 (0.50) CMA1CTSGSLC12A2KMT2ASLC12A5
SCHEMBL4454921 0.84 SLC12A2 (0.50) CMA1CTSGSLC12A2KMT2ASLC12A5
SCHEMBL7028807 0.83 SLC12A2 (0.51) CMA1CTSGSLC12A2KMT2ASLC12A5
SCHEMBL4447511 0.83 SLC12A2 (0.66) CMA1CTSGSLC12A2KMT2ASLC12A5

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 204/4885SLC12A2 604/4885
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders PTGIS, PTGIR, GRPR CMA1 313/4885CTSG 1249/4885SLC12A2 3488/4885

“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.