SCHEMBL7216420

SCHEMBL7216420

CC(C)(C)OC(=O)NCCC(=O)ONC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.55
IDO1 P14902 1/20 0.54
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.48
SIGMAR1 Q99720 2/20 0.47
GAA P10253 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 4/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
ELANE P08246 1/20 0.43
PRSS3 P35030 1/20 0.43
TPSAB1 Q15661 1/20 0.43

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
SCHEMBL28260248 0.91 MAPT (0.52) SYKIDO1HTTMAPTSIGMAR1
SCHEMBL3955009 0.89 SYK (0.57) SYKIDO1HTTLMNASMN1; SMN2
SCHEMBL7083503 0.86 HTT (0.55) SYKIDO1HTTLMNASMN1; SMN2
SCHEMBL6049741 0.86 HTT (0.59) SYKIDO1HTTLMNASMN1; SMN2
SCHEMBL25196389 0.86 SYK (0.45) SYKIDO1HTTLMNASMN1; SMN2
SCHEMBL28327204 0.85 SYK (0.48) SYKIDO1HTTLMNASMN1; SMN2
SCHEMBL15202883 0.84 SYK (0.64) SYKIDO1HTTLMNASMN1; SMN2
SCHEMBL31258268 0.84 SYK (0.53) SYKIDO1HTTLMNASMN1; SMN2
SCHEMBL7308592 0.84 SYK (0.53) SYKIDO1HTTLMNASMN1; SMN2
SCHEMBL28731412 0.82 IDO1 (0.59) SYKIDO1HTTLMNASMN1; SMN2

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-6620820-B2 Imidazole dione or one, thione derivatives as antitumor and antiinflammatory agents, also treats cardiovascular disease, nephropathies and retinopathies HOECHST AKTIENGESELLSCHAFT (DE) 2003-09-16 US disclosed
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors HOECHST AKTIENGESELLSCHAFT 2002-08-29 US disclosed
US-6218415-B1 THERAPY OF BONE REABSORPTION BY OSTEOCLASTS, TUMOR GROWTH AND TUMOR METASTASIS, INFLAMMATION, CARDIOVASCULAR DISEASE, NEPHROPATHIES AND RETINOPATHIES HOECHST AKTIENGESELLSCHAFT (DE) 2001-04-17 US 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-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST SYK 2977/4885IDO1 3323/4885HTT 4576/4885

“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.