SCHEMBL6062265

SCHEMBL6062265

CCCCCN(C(=O)c1nc2ccccc2o1)C(=O)C(CCSc1ccccc1)NC(=O)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FAAH O00519 2/20 0.36
CES1 P23141 1/20 0.36
FKBP1A P62942 1/20 0.36
KDM4E B2RXH2 1/20 0.35
P2RY12 Q9H244 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CTSL P07711 1/20 0.34

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
SCHEMBL7116237 0.87 CTSS (0.41) CTSSRAB9ASMN1; SMN2KDM4ECTSL
SCHEMBL5581490 0.84 CTSS (0.41) CTSSMEN1ALDH1A1HTTKMT2A
SCHEMBL6463182 0.83 CTSS (0.43) CTSSFAAHCES1KDM4ECTSL
SCHEMBL6062269 0.83 CTSS (0.49) CTSSMEN1ALDH1A1HTTKMT2A
SCHEMBL5581284 0.81 KDM4E (0.40) CTSSMEN1ALDH1A1HTTKMT2A
SCHEMBL6461829 0.81 CTSS (0.43) CTSSKDM4ECTSL
SCHEMBL6466966 0.80 CTSS (0.37) CTSSMEN1ALDH1A1HTTKMT2A
SCHEMBL6467696 0.80 CTSS (0.35) CTSSMEN1ALDH1A1HTTKMT2A
SCHEMBL6467376 0.80 CTSS (0.37) CTSSFAAHCES1KDM4ECTSL
SCHEMBL6467897 0.79 POLB (0.34) CTSSMEN1ALDH1A1HTTKMT2A

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 CTSS 9/4885MEN1 4023/4885ALDH1A1 3027/4885

“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.