Sugi Predict

Sugi Predict / Compounds / SCHEMBL2118034

SCHEMBL2118034

SCHEMBL2118034

CC(C)(C)OC(=O)n1c(=O)n(C(=O)OC(C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.43
▸ DGAT1 O75907 1/20 0.38
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ AAK1 Q2M2I8 3/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ GABRA5 P31644 2/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ PDGFRB P09619 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ ALPL P05186 1/20 0.31
▸ HIF1A Q16665 1/20 0.31

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
SCHEMBL27215181 0.91 USP30 (0.42) USP30DGAT1PRMT5WDR77AAK1
SCHEMBL29705273 0.91 USP30 (0.42) USP30DGAT1PRMT5WDR77AAK1
SCHEMBL13086540 0.90 USP30 (0.39) USP30DGAT1PRMT5WDR77AAK1
SCHEMBL10223723 0.86 USP30 (0.33) USP30GABRG2GABRB3GABRA5
SCHEMBL12172282 0.81 PRMT5 (0.43) USP30DGAT1PRMT5WDR77AAK1
SCHEMBL24365202 0.76 USP30 (0.43) USP30DGAT1PRMT5WDR77AAK1
SCHEMBL30470067 0.76 USP30 (0.43) USP30DGAT1PRMT5WDR77AAK1
SCHEMBL2117880 0.76 HSD17B10 (0.47) USP30DGAT1AAK1GABRG2GABRB3
SCHEMBL19411777 0.76 USP30 (0.43) USP30DGAT1PRMT5WDR77AAK1
SCHEMBL15168862 0.76 USP30 (0.45) USP30DGAT1PRMT5WDR77AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604023-B2 1,4-benzodiazepinone compounds and their use in treating cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-12-10 — — US disclosed
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-19 — — US disclosed
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-19 — — US disclosed
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-19 — — US disclosed
WO-2010121164-A2 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-10-21 — — 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-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER HTR4, HTR1A, HTR3B USP30 4110/4885DGAT1 3980/4885PRMT5 2710/4885

“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.