Sugi Predict

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SCHEMBL7216308

SCHEMBL7216308

CC(C)(C)OC(=O)CC(N)NC(=O)OCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ EPHX2 P34913 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ TSHR P16473 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
SCHEMBL7212591 0.82 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL27432610 0.79 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1EPHX2
SCHEMBL3892236 0.79 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1EPHX2
SCHEMBL7216466 0.78 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1EPHX2
SCHEMBL3892302 0.75 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1EPHX2
SCHEMBL27446856 0.74 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1EPHX2
SCHEMBL6758478 0.74 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL6758474 0.74 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL27435157 0.73 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AL3MBTL1EPHX2
SCHEMBL8344557 0.73 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AL3MBTL1EPHX2

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-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-20010021708-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors WEHNER VOLKMAR (DE) 2001-09-13 — — 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 (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-20010021708-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST ALDH1A1 4551/4885MEN1 525/4885KMT2A 4726/4885
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST ALDH1A1 4551/4885MEN1 525/4885KMT2A 4726/4885

“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.