SCHEMBL6063357

SCHEMBL6063357

CC(CCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)NCC(O)(CCc1ccccc1)c1nc2cc(C(C)(C)C)ccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
LMNA P02545 4/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
STS P08842 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
TACR1 P25103 1/20 0.36
MAPK8 P45983 1/20 0.36
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 2/20 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
SCHEMBL7046425 0.93 LMNA (0.39) CTSLCTSBCTSSCTSKLMNA
SCHEMBL7049595 0.90 CTSL (0.42) CTSLCTSBCTSSCTSKLMNA
SCHEMBL7046971 0.87 GPR119 (0.39) LMNAMAPTSMN1; SMN2HTTGPR119
SCHEMBL7044980 0.87 GPR119 (0.39) LMNAMAPTSMN1; SMN2HTTGPR119
SCHEMBL7049421 0.81 CTSL (0.44) CTSLCTSBCTSSCTSKLMNA
SCHEMBL7046158 0.74 LMNA (0.40) CTSLCTSBCTSSCTSKLMNA
SCHEMBL7047993 0.72 CTSS (0.44) CTSLCTSBCTSSCTSKLMNA
SCHEMBL7112203 0.70 CTSS (0.56) CTSLCTSBCTSSCTSKLMNA
SCHEMBL22622438 0.70 ALDH1A1 (0.59) SMN1; SMN2STSKDM4EPKMGAA
SCHEMBL7183817 0.70 SMN1; SMN2 (0.39) LMNAMAPTSMN1; SMN2HTTGPR119

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
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ CTSL 18/4885CTSB 11/4885CTSS 9/4885

“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.