SCHEMBL5620546

SCHEMBL5620546

Cc1cc2nc(SCCCC(=O)O)n(Cc3cn(C)c4ccccc34)c2cc1C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 4/20 0.54
CTSG P08311 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.46
PTGDR2 Q9Y5Y4 6/20 0.45
KMT2A Q03164 2/20 0.44
PDPK1 O15530 1/20 0.44
SLC12A2 P55011 1/20 0.42
SLC12A5 Q9H2X9 1/20 0.42
HCRTR1 O43613 2/20 0.42
AR P10275 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL5405060 0.89 CMA1 (0.60) CMA1CTSGL3MBTL1PTGDR2KMT2A
SCHEMBL5622038 0.88 CMA1 (0.59) CMA1CTSGL3MBTL1TP53PTGDR2
SCHEMBL5621908 0.86 CMA1 (0.53) CMA1CTSGL3MBTL1TP53PTGDR2
SCHEMBL4452536 0.86 CMA1 (0.56) CMA1CTSGL3MBTL1TP53PTGDR2
SCHEMBL5622412 0.84 CTSG (0.57) CMA1CTSGL3MBTL1TP53PTGDR2
SCHEMBL5622059 0.83 CMA1 (0.67) CMA1CTSGL3MBTL1TP53PTGDR2
SCHEMBL5404422 0.82 KMT2A (0.55) CMA1CTSGL3MBTL1PTGDR2KMT2A
SCHEMBL5620685 0.80 CMA1 (0.57) CMA1CTSGL3MBTL1TP53PTGDR2
SCHEMBL5622802 0.80 CTSG (0.71) CMA1CTSGL3MBTL1TP53PTGDR2
SCHEMBL4454301 0.80 CTSG (0.61) CMA1CTSGL3MBTL1TP53PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032466-A1 Drug containing chymase inhibitor as the active ingredient TEIJIN PHARMA LIMITED (JP) 2007-02-08 US claimed
EP-1666067-A1 DRUG CONTAINING CHYMASE INHIBITOR AS THE ACTIVE INGREDIENT Teijin Pharma Limited (JP) 2006-06-07 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070032466-A1 Drug containing chymase inhibitor as the active ingredient REN, SERPINB1, CMA1 CMA1 3/4885CTSG 40/4885L3MBTL1 4241/4885

“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.