SCHEMBL17228792

SCHEMBL17228792

CC(C#N)(CC[Si](C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.52
CTSL P07711 11/20 0.48
CTSB P07858 7/20 0.48
CTSK P43235 4/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL18541924 0.93 CTSS (0.50) CTSSCTSLCTSBCTSKMEN1
SCHEMBL16449965 0.86 CTSS (0.52) CTSSCTSLCTSBCTSKMEN1
SCHEMBL15837113 0.85 CTSS (0.51) CTSSCTSLCTSBCTSKMEN1
SCHEMBL16449982 0.84 MEN1 (0.52) CTSSCTSLCTSBCTSKMEN1
SCHEMBL15686296 0.83 CTSS (0.54) CTSSCTSLCTSBCTSKMEN1
SCHEMBL16449984 0.83 CTSS (0.49) CTSSCTSLCTSBCTSKMEN1
SCHEMBL18541946 0.83 CTSS (0.49) CTSSCTSLCTSBCTSKMEN1
SCHEMBL15837157 0.82 MEN1 (0.55) CTSSCTSLCTSBCTSKMEN1
SCHEMBL17228796 0.81 CTSS (0.47) CTSSCTSLCTSBCTSKMEN1
SCHEMBL1150695 0.80 CTSS (0.58) CTSSCTSLCTSBCTSKMEN1

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-20180037580-A1 Substituted pyrazolo[1,5-a]-pyridine-3-carboxamides and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-08 US disclosed
US-20180022751-A1 N-SUBSTITUTED 8-[(2,6-DIFLUOROBENZYL)OXY]-2,6-DIMETHYLIMIDAZO[1,2-A]PYRAZIN-3-CARBOXAMIDE DERIVATIVES AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE (SGC) FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-01-25 US disclosed
US-20170050961-A1 IMIDAZO[1,2-A]PYRIDINES AS SOLUBLE GUANYLATE CYCLASE STIMULATORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-23 US disclosed
WO-2015165933-A2 6-SUBSTITUTED IMIDAZO[1,2-A]PYRAZINECARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-11-05 WO 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 (3 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-20180022751-A1 N-SUBSTITUTED 8-[(2,6-DIFLUOROBENZYL)OXY]-2,6-DIMETHYLIMIDAZO[1,2-A]PYRAZIN-3-CARBOXAMIDE DERIVATIVES AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE (SGC) FOR THE TREATMENT OF CARDIOVASCULAR DISEASES GUCY1A2, GUCY1B2, GUCY1A1 CTSS 3852/4885CTSL 3549/4885CTSB 3869/4885
US-20180037580-A1 Substituted pyrazolo[1,5-a]-pyridine-3-carboxamides and use thereof PC, PNPO, AADAC CTSS 2525/4885CTSL 1942/4885CTSB 2405/4885
US-20170050961-A1 IMIDAZO[1,2-A]PYRIDINES AS SOLUBLE GUANYLATE CYCLASE STIMULATORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES GUCY1A2, GUCY1A1, GUCY1B2 CTSS 3833/4885CTSL 3939/4885CTSB 4364/4885

“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.