SCHEMBL7120045

SCHEMBL7120045

Cc1ccc(CC(N)=O)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ICMT O60725 3/20 0.36
▸ SIRT1 Q96EB6 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL28176483 0.82 HTT (0.37) HTTCA2ICMTSIRT1GAA
SCHEMBL339508 0.82 P2RX7 (0.44) ICMTGAANPSR1ALDH1A1HSD17B10
SCHEMBL1257814 0.81 SMN1; SMN2 (0.39) SMN1; SMN2NPSR1ALDH1A1HSD17B10
SCHEMBL1257818 0.81 SMN1; SMN2 (0.54) SMN1; SMN2GAANPSR1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL14167164 0.80 P2RX7 (0.43) ICMTGAANPSR1ALDH1A1HSD17B10
SCHEMBL14294930 0.79 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL13343478 0.79 HTT (0.42) HTTCA2ICMTSIRT1NPSR1
Ammonia Solution, Strong SCHEMBL28714250 0.79 SMN1; SMN2 (0.53) SMN1; SMN2GAAALOX15HSD17B10
SCHEMBL31484258 0.77 GRIN2D (0.33) HTTCA2SMN1; SMN2ICMTSIRT1
SCHEMBL11921702 0.75 PPARG (0.36) HTTSMN1; SMN2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030032803-A1 Novel amide derivatives as inhibitors of matrix metalloproteinases, TNF-alpha, and aggrecanase DUAN JINGWU (US) 2003-02-13 — — US claimed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 — — EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 — — 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 (1 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-20030032803-A1 Novel amide derivatives as inhibitors of matrix metalloproteinases, TNF-alpha, and aggrecanase TNF, MMP1, ADAMTS1 HTT 2709/4885CA2 467/4885SMN1; SMN2 2708/4885

“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.

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