SCHEMBL4455217

SCHEMBL4455217

Cc1cccc2cccc(Cn3c(SCCCC(=O)O)nc4ccccc43)c12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSG P08311 2/20 0.75
CMA1 P23946 2/20 0.75
L3MBTL1 Q9Y468 1/20 0.57
PTGDR2 Q9Y5Y4 9/20 0.55
PDPK1 O15530 3/20 0.53
KMT2A Q03164 2/20 0.53
ATM Q13315 1/20 0.52
SLC12A2 P55011 1/20 0.52
SLC12A5 Q9H2X9 1/20 0.52
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL4454301 0.89 CTSG (0.61) CTSGCMA1L3MBTL1PTGDR2PDPK1
SCHEMBL7030671 0.89 PTGDR2 (0.67) CTSGCMA1L3MBTL1PTGDR2PDPK1
SCHEMBL5622802 0.87 CTSG (0.71) CTSGCMA1L3MBTL1PTGDR2PDPK1
SCHEMBL2123194 0.86 CTSG (1.00) CTSGCMA1L3MBTL1PTGDR2PDPK1
SCHEMBL4307028 0.85 SLC12A2 (0.67) CTSGCMA1L3MBTL1PTGDR2KMT2A
Water SCHEMBL3536654 0.85 CTSG (0.98) CTSGCMA1L3MBTL1PTGDR2PDPK1
Hydrochloric Acid SCHEMBL5117973 0.85 CTSG (0.98) CTSGCMA1L3MBTL1PTGDR2PDPK1
SCHEMBL7027470 0.85 SLC12A2 (0.66) CTSGCMA1L3MBTL1PTGDR2KMT2A
SCHEMBL7027475 0.85 SLC12A2 (0.66) CTSGCMA1L3MBTL1PTGDR2KMT2A
Alcohol SCHEMBL3541187 0.84 CTSG (0.95) CTSGCMA1L3MBTL1PTGDR2PDPK1

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 5 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
WO-2006102069-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND GASTROINTESTINAL DISORDERS MICROBIA, INC. (US) 2006-09-28 WO 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 1/4885L3MBTL1 1943/4885
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders PTGIS, PTGIR, GRPR CTSG 1249/4885CMA1 313/4885L3MBTL1 4400/4885

“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.