SCHEMBL4451685

SCHEMBL4451685

N#Cc1ccc2c(c1)nc(SCCCC(=O)O)n2Cc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC12A2 P55011 1/20 0.50
KMT2A Q03164 1/20 0.50
SLC12A5 Q9H2X9 1/20 0.50
CMA1 P23946 3/20 0.49
CTSG P08311 2/20 0.49
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
PTGDR2 Q9Y5Y4 6/20 0.42
SLC22A12 Q96S37 2/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.40
HCRTR1 O43613 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL7034397 0.88 PTGDR2 (0.53) SLC12A2KMT2ASLC12A5CMA1CTSG
SCHEMBL5622354 0.86 CMA1 (0.58) SLC12A2KMT2ASLC12A5CMA1CTSG
SCHEMBL4307028 0.85 SLC12A2 (0.67) SLC12A2KMT2ASLC12A5CMA1CTSG
SCHEMBL7027475 0.85 SLC12A2 (0.66) SLC12A2KMT2ASLC12A5CMA1CTSG
SCHEMBL7027470 0.85 SLC12A2 (0.66) SLC12A2KMT2ASLC12A5CMA1CTSG
SCHEMBL4454921 0.84 SLC12A2 (0.50) SLC12A2KMT2ASLC12A5CMA1CTSG
SCHEMBL4452004 0.84 CMA1 (0.51) SLC12A2KMT2ASLC12A5CMA1CTSG
SCHEMBL4452536 0.83 CMA1 (0.56) SLC12A2KMT2ASLC12A5CMA1CTSG
SCHEMBL7028807 0.83 SLC12A2 (0.51) SLC12A2KMT2ASLC12A5CMA1CTSG
SCHEMBL4447511 0.83 SLC12A2 (0.66) SLC12A2KMT2ASLC12A5CMA1CTSG

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 SLC12A2 604/4885KMT2A 2450/4885SLC12A5 445/4885
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders PTGIS, PTGIR, GRPR SLC12A2 3488/4885KMT2A 4822/4885SLC12A5 3552/4885

“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.