Sugi Predict

Sugi Predict / Compounds / SCHEMBL7533075

SCHEMBL7533075

SCHEMBL7533075

CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(C(C)(C)C)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 15/20 1.00
▸ CTSB P07858 15/20 1.00
▸ CTSS P25774 15/20 1.00
▸ CTSK P43235 12/20 1.00
▸ SLC6A9 P48067 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ TACR2 P21452 2/20 0.36

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
SCHEMBL7526718 0.88 CTSL (0.88) CTSLCTSBCTSSCTSKSLC6A9
SCHEMBL7537053 0.87 CTSS (1.00) CTSLCTSBCTSSCTSK
SCHEMBL7569060 0.86 CTSS (1.00) CTSLCTSBCTSSCTSK
SCHEMBL7529726 0.85 CTSS (1.00) CTSLCTSBCTSSCTSK
SCHEMBL7531501 0.84 CTSS (1.00) CTSLCTSBCTSSCTSK
SCHEMBL7534190 0.83 CTSK (0.91) CTSLCTSBCTSSCTSKTACR2
SCHEMBL7528445 0.83 CTSS (0.74) CTSLCTSBCTSSCTSKTACR2
SCHEMBL7530898 0.77 CTSS (0.65) CTSLCTSBCTSSCTSK
SCHEMBL7530008 0.75 CTSK (0.63) CTSLCTSBCTSSCTSKTACR2
SCHEMBL7532290 0.74 CTSS (0.58) CTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 — — WO claimed
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 — — WO disclosed