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SCHEMBL5404405

SCHEMBL5404405

COc1ccc2nc(SCCCC(=O)O)n(Cc3csc4ccc(C)cc34)c2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSG P08311 2/20 0.55
▸ CMA1 P23946 2/20 0.55
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2E1 P05181 1/20 0.43
▸ CYP2C8 P10632 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2B6 P20813 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ AR P10275 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PTGDR2 Q9Y5Y4 5/20 0.39
▸ TP53 P04637 1/20 0.38
▸ MTNR1A P48039 2/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL5396779 0.93 CTSG (0.55) CTSGCMA1CYP1A2CYP2E1CYP2C8
SCHEMBL5399296 0.91 PTGDR2 (0.47) CTSGCMA1ARKDM4EHPGD
SCHEMBL5623074 0.87 CTSG (0.59) CTSGCMA1HCRTR1PTGDR2TP53
SCHEMBL5621033 0.87 CTSG (0.71) CTSGCMA1ARHCRTR1PTGDR2
SCHEMBL5787011 0.85 CMA1 (0.66) CTSGCMA1ARHCRTR1PTGDR2
SCHEMBL5398200 0.85 PTGDR2 (0.47) CTSGCMA1ARKDM4EHPGD
SCHEMBL5395160 0.85 CTSG (0.77) CTSGCMA1CYP1A2CYP2E1CYP2C8
SCHEMBL5394415 0.83 CMA1 (0.61) CTSGCMA1CYP1A2CYP2E1CYP2C8
SCHEMBL5621422 0.80 CMA1 (0.66) CTSGCMA1ARHCRTR1PTGDR2
SCHEMBL5621017 0.79 CTSG (0.57) CTSGCMA1PTGDR2TP53

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 7 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
US-7176320-B2 Benzimidazole derivative TEIJIN LIMITED (JP) 2007-02-13 — — US disclosed
US-20050267148-A1 Benzimidazole derivative TEIJIN LIMITED 2005-12-01 — — US disclosed
US-20040162311-A1 Benzimidazole derivative TEIJIN LIMITED 2004-08-19 — — US disclosed
US-20040010004-A1 Benzimidazole derivatives TEIJIN LIMITED (JP) 2004-01-15 — — US disclosed
EP-1249450-A1 BENZIMIDAZOLE DERIVATIVES TEIJIN LIMITED (JP) 2002-10-16 — — 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 (4 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-20040162311-A1 Benzimidazole derivative CMA1, CBR3, CBR1 CTSG 486/4885CMA1 1/4885CYP1A2 886/4885
US-20040010004-A1 Benzimidazole derivatives CMA1, CBR3, CBR1 CTSG 447/4885CMA1 1/4885CYP1A2 865/4885
US-20050267148-A1 Benzimidazole derivative CMA1, SERPINB1, TPSAB1 CTSG 184/4885CMA1 1/4885CYP1A2 663/4885
US-20070032466-A1 Drug containing chymase inhibitor as the active ingredient REN, SERPINB1, CMA1 CTSG 40/4885CMA1 3/4885CYP1A2 4217/4885

“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.