SCHEMBL6804162

SCHEMBL6804162

O=C(NC(Cc1ccncc1)C(=O)N1CCC2OCC(=O)C21)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.60
CTSV O60911 4/20 0.60
CTSL P07711 4/20 0.60
CTSK P43235 6/20 0.56
MMP13 P45452 2/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTT P42858 1/20 0.44
MAPK14 Q16539 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ROCK2 O75116 4/20 0.42
GPR132 Q9UNW8 2/20 0.41
TSHR P16473 1/20 0.40
ACE P12821 1/20 0.39
ACE2 Q9BYF1 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
SCHEMBL6805474 0.94 CTSS (0.65) CTSSCTSVCTSLCTSKACE
SCHEMBL6803155 0.93 CTSS (0.57) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6800920 0.92 CTSS (0.69) CTSSCTSVCTSLCTSKROCK2
SCHEMBL5096042 0.91 CTSS (0.57) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6802966 0.91 CTSS (0.61) CTSSCTSVCTSLCTSKTSHR
SCHEMBL6803531 0.90 CTSS (0.60) CTSSCTSVCTSLCTSKTSHR
SCHEMBL6804078 0.90 CTSS (0.60) CTSSCTSVCTSLCTSKSMN1; SMN2
SCHEMBL5138783 0.90 CTSS (0.60) CTSSCTSVCTSLCTSKTSHR
SCHEMBL4454210 0.88 CTSK (0.56) CTSSCTSVCTSLCTSKROCK2
SCHEMBL5253840 0.88 CTSK (0.57) CTSSCTSVCTSLCTSKROCK2

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-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases GRUNENTHAL GMBH (DE) 2004-07-15 US disclosed
EP-1392319-A2 HYPOTENSIVE LIPID (PROSTAGLANDIN) AND TIMOLOL COMPOSITIONS AND METHODS OF USING SAME Allergan, Inc. (US) 2004-03-03 EP disclosed
WO-2002096432-A2 HYPOTENSIVE LIPID (PROSTAGLANDIN DERIVATIVES) AND TIMOLOL COMPOSITIONS AND METHODS OF USING SAME ALLERGAN, INC. (US) 2002-12-05 WO disclosed
WO-1997030710-A1 NON-ACIDIC CYCLOPENTANE HEPTANOIC ACID, 2-CYCLOALKYL OR ARYLALKYL DERIVATIVES AS THERAPEUTIC AGENTS VISION PHARMACEUTICALS L.P. (US) 1997-08-28 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-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 CTSS 39/4885CTSV 27/4885CTSL 23/4885

“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.