Sugi Predict

Sugi Predict / Compounds / SCHEMBL6742954

SCHEMBL6742954

SCHEMBL6742954

CC(C)(C)OC(=O)[C@@H](CN1C(=O)c2ccccc2C1=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ PDCD1 Q15116 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ ITGB7 P26010 1/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL6742956 1.00 ALDH1A1 (0.41) ALDH1A1PDCD1CD274CA12CA9
SCHEMBL929460 0.84 ALDH1A1 (0.43) ALDH1A1CA12CA9MAPK1MMP1
SCHEMBL6388649 0.81 AKT1 (0.46) ALDH1A1
SCHEMBL6740469 0.79 ITGA4 (0.43) ALDH1A1PDCD1CD274MAPK1ITGA4
SCHEMBL6740472 0.79 ITGA4 (0.43) ALDH1A1PDCD1CD274MAPK1ITGA4
Hydrochloric Acid SCHEMBL5226974 0.77 ITGA4 (0.44) MAPK1MMP1MMP3MMP9ITGA4
Hydrochloric Acid SCHEMBL5224470 0.77 ITGA4 (0.44) MAPK1MMP1MMP3MMP9ITGA4
SCHEMBL31649285 0.77 PPARA (0.51) ALDH1A1
SCHEMBL4299010 0.76 ITGA4 (0.41) MAPK1MMP1MMP3MMP9ITGA4
SCHEMBL4299016 0.76 ITGA4 (0.41) MAPK1MMP1MMP3MMP9ITGA4

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 4 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
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 ALDH1A1 350/4885PDCD1 1136/4885CD274 320/4885
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates CD40, TNFRSF1A, CD2 ALDH1A1 139/4885PDCD1 648/4885CD274 117/4885

“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.