SCHEMBL5623768

SCHEMBL5623768

COc1ccc2c(c1)nc(SCCCC(=O)O)n2Cc1cn(C)c2cccc(Cl)c12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSG P08311 2/20 0.48
CMA1 P23946 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.42
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.41
HCRTR1 O43613 2/20 0.41
AR P10275 1/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.40
GNRHR P30968 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
SCHEMBL5622172 0.91 CMA1 (0.57) CTSGCMA1L3MBTL1PTGDR2TP53
SCHEMBL5621097 0.88 CTSG (0.60) CTSGCMA1L3MBTL1PTGDR2TP53
SCHEMBL5621908 0.87 CMA1 (0.53) CTSGCMA1L3MBTL1PTGDR2TP53
SCHEMBL5620685 0.82 CMA1 (0.57) CTSGCMA1L3MBTL1PTGDR2TP53
SCHEMBL4452004 0.81 CMA1 (0.51) CTSGCMA1L3MBTL1PTGDR2TP53
SCHEMBL5622038 0.79 CMA1 (0.59) CTSGCMA1L3MBTL1PTGDR2TP53
SCHEMBL5622802 0.79 CTSG (0.71) CTSGCMA1L3MBTL1PTGDR2TP53
SCHEMBL5621193 0.78 CTSG (0.60) CTSGCMA1L3MBTL1PTGDR2TP53
SCHEMBL4447502 0.78 CTSG (0.49) CTSGCMA1PTGDR2TP53POLB
SCHEMBL5410166 0.77 CTSG (0.77) CTSGCMA1L3MBTL1PTGDR2TP53

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 CTSG 40/4885CMA1 3/4885L3MBTL1 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.