SCHEMBL6463860

SCHEMBL6463860

N#Cc1ccccc1CS(=O)(=O)CC(NC(=O)C1CCNCC1)C(=O)N(CCCc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSK P43235 2/20 0.43
FAAH O00519 1/20 0.35
CES1 P23141 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
P2RY12 Q9H244 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PRSS8 Q16651 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL7183163 1.00 CTSS (0.43) CTSSCTSLCTSBCTSKFAAH
SCHEMBL7046914 0.94 CTSS (0.36) CTSSCTSLCTSBCTSKFAAH
SCHEMBL6062089 0.86 CTSS (0.43) CTSSCTSLCTSBCTSKFAAH
SCHEMBL6466062 0.84 DAGLA (0.37) CTSSCTSLCTSBCTSKFAAH
SCHEMBL6463867 0.84 CTSS (0.59) CTSSCTSLCTSBCTSKCYP3A4
Hydrochloric Acid SCHEMBL7114461 0.80 CTSS (0.44) CTSSCTSLCTSBCTSKFAAH
SCHEMBL7182996 0.80 FAAH (0.38) CTSSCTSLCTSBCTSKFAAH
SCHEMBL7048614 0.79 DAGLA (0.41) CTSSCTSLCTSBCTSKFAAH
SCHEMBL6062084 0.77 CTSS (0.51) CTSSCTSLCTSBCTSKCYP3A4
SCHEMBL7049518 0.76 DAGLA (0.46) FAAHCES1DAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US claimed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US claimed
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP 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 9/4885CTSL 18/4885CTSB 11/4885

“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.