SCHEMBL6758474

SCHEMBL6758474

CC(C)(C)OC(=O)NC[C@H](NC(=O)OCC12CC3CC(CC(C3)C1)C2)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ITGB3 P05106 3/20 0.42
ITGAV P06756 3/20 0.42
ITGA2B P08514 3/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
MAPK1 P28482 1/20 0.39
CACNA1H O95180 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SYK P43405 1/20 0.38
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL6758478 1.00 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1ITGB3
SCHEMBL3892302 0.92 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1ITGB3
SCHEMBL27432610 0.80 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1HDAC4
SCHEMBL3892236 0.80 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1HDAC4
SCHEMBL22117538 0.79 HDAC4 (0.50) ALDH1A1MEN1KMT2AITGB3ITGA2B
SCHEMBL8658549 0.79 HDAC4 (0.50) ALDH1A1MEN1KMT2AITGB3ITGA2B
SCHEMBL7216466 0.79 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1ITGB3
SCHEMBL8344557 0.78 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AL3MBTL1HDAC4
SCHEMBL3544394 0.78 CTSS (0.54) MEN1KMT2ACTSSCTSKCTSL
SCHEMBL1626495 0.78 CTSS (0.54) MEN1KMT2ACTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759424-B2 2,5-DIOXOIMIDAZOLIDINE OR 2-THIO-5-OXOIMIDAZOLIDINE DERIVATIVES SUITABLE FOR THE THERAPY AND PROPHYLAXIS OF INFLAMMATORY DISORDERS, FOR EXAMPLE OF RHEUMATOID ARTHRITIS, OR OF ALLERGIC DISORDER AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-06 US disclosed
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-20030125565-A1 Imidazolidine derivatives, their preparation, their use, and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-07-03 US disclosed
US-6514952-B1 Hydantoin derivatives as inhibitors of leucocyte adhesion and as VLA-4 antagonists HOECHST AKTIENGESELLSCHAFT (DE) 2003-02-04 US disclosed
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors HOECHST AKTIENGESELLSCHAFT 2002-08-29 US disclosed
US-6423712-B1 2,4-Substituted imidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-07-23 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
US-6034238-A ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENT HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 2000-03-07 US disclosed
US-5998447-A ANTIINFLAMMATORY AGENTS HOECHST AKTIENGESELLSCHAFT AG (DE) 1999-12-07 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 (3 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-20030125565-A1 Imidazolidine derivatives, their preparation, their use, and pharmaceutical preparations comprising them VCAM1, ITGA1, ITGA4 ALDH1A1 907/4885MEN1 4123/4885KMT2A 1175/4885
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.