Sugi Predict

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SCHEMBL6464676

SCHEMBL6464676

Cc1cccc(CS(=O)(=O)C(CNC(=O)C2CCN(C(=O)O)CC2)C(=O)NC(CCc2ccccc2)C(=O)c2nc3ccccc3o2)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 17/20 0.45
▸ CTSL P07711 2/20 0.45
▸ CTSB P07858 2/20 0.45
▸ CTSK P43235 2/20 0.45
▸ PRSS8 Q16651 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL6062953 0.93 CTSS (0.43) CTSSCTSLCTSBCTSKPRSS8
SCHEMBL6464673 0.81 PRSS8 (0.40) CTSSCTSLCTSBCTSKPRSS8
SCHEMBL7179322 0.79 CTSS (0.52) CTSSCTSLCTSBCTSKPRSS8
SCHEMBL6061819 0.78 CTSS (0.61) CTSSCTSLCTSBCTSKPRSS8
SCHEMBL7179327 0.77 LMNA (0.38) CTSSLMNACYP3A4CYP2C9
SCHEMBL7042145 0.76 CTSS (0.40) CTSSCTSLCTSBCTSKLMNA
SCHEMBL6062950 0.75 PRSS8 (0.40) CTSSCTSLCTSBCTSKPRSS8
SCHEMBL6062946 0.75 PRSS8 (0.40) CTSSCTSLCTSBCTSKPRSS8
SCHEMBL6468406 0.72 CTSL (0.42) CTSSCTSLCTSBCTSKPRSS8
SCHEMBL7048383 0.72 LMNA (0.40) CTSSLMNAMAPTCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 — — EP disclosed