SCHEMBL17194115

SCHEMBL17194115

CC(C)(C)OC(=O)NC(CCc1ccc2cc(C#CCCNC(=O)OCc3ccccc3)ccc2c1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 6/20 0.45
▸ CTSK P43235 4/20 0.45
▸ CTSB P07858 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CTSL P07711 2/20 0.42
▸ KLK7 P49862 2/20 0.42
▸ KLK5 Q9Y337 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ SYK P43405 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39

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
SCHEMBL15802557 1.00 CTSS (0.45) CTSSCTSKCTSBMAPTCTSL
SCHEMBL15804298 0.92 CTSS (0.51) CTSSCTSKCTSBMAPTCTSL
SCHEMBL15792130 0.92 CTSS (0.52) CTSSCTSKCTSBMAPTCTSL
SCHEMBL15792132 0.92 CTSS (0.52) CTSSCTSKCTSBMAPTCTSL
SCHEMBL15807826 0.87 CTSS (0.53) CTSSCTSKCTSBMAPTCTSL
SCHEMBL19606590 0.86 CTSS (0.52) CTSSCTSKCTSBMAPTCTSL
SCHEMBL17194114 0.86 MAPT (0.54) CTSSCTSKCTSBMAPTCTSL
SCHEMBL15802558 0.86 MAPT (0.54) CTSSCTSKCTSBMAPTCTSL
SCHEMBL15792526 0.85 CTSS (0.53) CTSSCTSKCTSBMAPTCTSL
SCHEMBL15792523 0.85 CTSS (0.53) CTSSCTSKCTSBMAPTCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150299142-A1 3,5-DIAMINO-6-CHLORO-N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2-CARBOXAMIDE COMPOUNDS PARION SCIENCES, INC. (US) 2015-10-22 — — US 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 (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-20150299142-A1 3,5-DIAMINO-6-CHLORO-N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2-CARBOXAMIDE COMPOUNDS CFTR, SCNN1B, SCN5A CTSS 875/4885CTSK 1181/4885CTSB 483/4885

“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.

Send feedback