SCHEMBL6741428

SCHEMBL6741428

CC(C)CC(NS(=O)(=O)Cc1ccc2ccccc2c1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
NPR3 P17342 4/20 0.41
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ATM Q13315 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40
CASP6 P55212 1/20 0.40
CASP8 Q14790 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 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
SCHEMBL6741426 1.00 CTSB (0.43) CTSBCTSSCTSKNPR3MAPT
SCHEMBL6738450 0.84 MME (0.48) CYP2C9CYP2C19ADAMTS4MMP13KMT2A
SCHEMBL6738452 0.84 MME (0.48) CYP2C9CYP2C19ADAMTS4MMP13KMT2A
SCHEMBL7126321 0.83 NPR3 (0.39) NPR3MAPTPOLBNPSR1ATM
SCHEMBL6733017 0.83 MMP9 (0.48) CASP1CASP3CASP6CASP8MMP13
SCHEMBL6733013 0.83 MMP9 (0.48) CASP1CASP3CASP6CASP8MMP13
SCHEMBL28367643 0.72 CTSK (0.52) CTSBCTSSCTSKKMT2AMEN1
SCHEMBL18775042 0.72 CTSK (0.52) CTSBCTSSCTSKKMT2AMEN1
SCHEMBL31538713 0.71 CTSB (0.54) CTSBCTSSCTSKMAPTPOLB
SCHEMBL5138638 0.70 MAPT (0.41) CTSBCTSSCTSKMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates SMITHKLINE BEECHAM P.L.C. 2004-11-11 US disclosed
US-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 US disclosed
US-20030134880-A1 Novel cd23 inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-17 US disclosed
EP-1265855-A1 NOVEL CD23 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2002-12-18 EP disclosed
EP-1244616-A1 (HETERO)BICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SmithKline Beecham plc (GB) 2002-10-02 EP disclosed
WO-2001062715-A1 NOVEL CD23 INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-30 WO disclosed
WO-2001047874-A1 (HETERO)BICYCLYMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-07-05 WO 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 (3 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-20030134880-A1 Novel cd23 inhibitors CD2, CD22, CD40 CTSB 1057/4885CTSS 599/4885CTSK 1672/4885
US-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives CD40, CD22, CD2 CTSB 796/4885CTSS 561/4885CTSK 1217/4885
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates CD40, TNFRSF1A, CD2 CTSB 1009/4885CTSS 764/4885CTSK 1531/4885

“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.