SCHEMBL6375244

SCHEMBL6375244

CCOC(=O)C(Cc1ccc(-c2ccccc2)s1)NC(=O)C1(NC(=O)OC(C)(C)C)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
TACR2 P21452 5/20 0.40
CTSK P43235 2/20 0.39
FAAH O00519 1/20 0.38
NPPA P01160 5/20 0.38
MME P08473 5/20 0.38
ECE1 P42892 1/20 0.37
GHSR Q92847 1/20 0.37
PTPRB P23467 1/20 0.37
KLK5 Q9Y337 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35

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
SCHEMBL6376596 0.82 ECE1 (0.41) TACR2NPPAMMEECE1
SCHEMBL6376599 0.81 ECE1 (0.39) TACR2NPPAMMEECE1
SCHEMBL6379389 0.81 HPGD (0.40) TACR2
Hydrochloric Acid SCHEMBL6376032 0.81 HPGD (0.39) TACR2
Hydrochloric Acid SCHEMBL6379384 0.81 HPGD (0.39) TACR2
SCHEMBL6382280 0.81 ECE1 (0.42) TACR2NPPAMMEECE1
SCHEMBL6382283 0.81 ECE1 (0.40) TACR2NPPAMMEECE1
SCHEMBL7229743 0.80 CTSS (0.47) CTSKECE1KLK5CTSS
SCHEMBL7229463 0.78 HDAC1 (0.47) SCN9ACTSKNPPAMMEECE1
SCHEMBL8063643 0.78 HTRA1 (0.46) CTSKFAAHKLK5CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080104-B1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME NOVARTIS AG (CH) 2005-02-09 EP disclosed
US-6689801-B2 CARDIOVASCULAR DISORDERS; ANTIISCHEMIC AGENTS; HYPOTENSIVE AGENTS; GASTROINTESTINAL DISORDERS NOVARTIS AG (CH) 2004-02-10 US disclosed
US-20030018057-A1 Certain heteroaryl substituted thiol inhibitors of endothelin-converting enzyme FINK CYNTHIA ANNE (US) 2003-01-23 US disclosed
US-6426354-B1 CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS; BRAIN DISORDERS NOVARTIS AG (CH) 2002-07-30 US disclosed
EP-1080104-A1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME Novartis AG (CH) 2001-03-07 EP disclosed
WO-1999055723-A1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME NOVARTIS AG (CH) 1999-11-04 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 (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-20030018057-A1 Certain heteroaryl substituted thiol inhibitors of endothelin-converting enzyme ECE1, ECE2, EDNRB SCN9A 2869/4885TACR2 334/4885CTSK 1756/4885

“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.