SCHEMBL6739624

SCHEMBL6739624

CC(C)(C)OC(=O)N[C@H](Cn1cccn1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.44
PPARG P37231 5/20 0.44
ACE P12821 1/20 0.43
PPARD Q03181 2/20 0.42
CTSK P43235 7/20 0.42
CTSS P25774 5/20 0.42
IDO1 P14902 1/20 0.41
ITGA4 P13612 2/20 0.40
ITGB7 P26010 2/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
FDPS P14324 1/20 0.39
NLRP3 Q96P20 1/20 0.39

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
SCHEMBL606575 1.00 PPARA (0.44) PPARAPPARGACEPPARDCTSK
SCHEMBL10246509 1.00 PPARA (0.44) PPARAPPARGACEPPARDCTSK
SCHEMBL20263054 0.88 NLRP3 (0.41) CTSKCTSSCTSLCTSBFDPS
SCHEMBL20263052 0.88 NLRP3 (0.41) CTSKCTSSCTSLCTSBFDPS
SCHEMBL24109023 0.88 NLRP3 (0.36) PPARAPPARGACEPPARDCTSK
SCHEMBL28853919 0.87 PPARA (0.42) PPARAPPARGACEPPARDCTSK
SCHEMBL1033716 0.87 PPARA (0.42) PPARAPPARGACEPPARDCTSK
SCHEMBL304552 0.86 FDPS (0.43) ITGA4ITGB7FDPSNLRP3
SCHEMBL304551 0.86 FDPS (0.43) ITGA4ITGB7FDPSNLRP3
SCHEMBL14737322 0.84 FDPS (0.41) CTSKCTSSFDPSNLRP3

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
CN-107709301-B Pyrazole derivative or pharmacologically acceptable salt thereof 橘生药品工业株式会社 2021-06-22 CN disclosed
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
EP-1244616-A1 (HETERO)BICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SmithKline Beecham plc (GB) 2002-10-02 EP 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 (2 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-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives CD40, CD22, CD2 PPARA 3785/4885PPARG 3282/4885ACE 2392/4885
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates CD40, TNFRSF1A, CD2 PPARA 3859/4885PPARG 3553/4885ACE 2827/4885

“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.