Sugi Predict

Sugi Predict / Compounds / SCHEMBL9679571

SCHEMBL9679571

SCHEMBL9679571

COC(=O)[C@H](CSSC[C@H](NC(=O)OC(C)(C)C)C(=O)OC)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ NFKB1 P19838 2/20 0.50
▸ NFKB2 Q00653 2/20 0.50
▸ RELA Q04206 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ GSTP1 P09211 1/20 0.46
▸ GSTM2 P28161 1/20 0.46
▸ CTSK P43235 5/20 0.46
▸ CTSS P25774 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ PPARG P37231 4/20 0.43
▸ PPARA Q07869 4/20 0.43
▸ ITGB1 P05556 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
SCHEMBL9679578 1.00 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19HTTNFKB1
SCHEMBL25003377 1.00 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19HTTNFKB1
SCHEMBL20531111 1.00 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19HTTNFKB1
SCHEMBL14227034 0.94 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19HTTNFKB1
SCHEMBL29740118 0.92 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HTTNFKB1
SCHEMBL18167329 0.91 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HTTNFKB1
SCHEMBL28777391 0.91 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HTTNFKB1
SCHEMBL15608320 0.91 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HTTNFKB1
SCHEMBL7539326 0.91 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19HTTNFKB1
SCHEMBL7539324 0.91 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19HTTNFKB1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151054-A1 SULFUR EXTRUSION FROM DISULFIDES BY CARBENES Universität Heidelberg (DE) 2023-05-18 — — US disclosed
US-10759748-B2 Compounds as L-cystine crystallization inhibitors and uses thereof NEW YORK UNIVERSITY (US) 2020-09-01 — — US disclosed
EP-3019194-B1 PRODUCTION OF SELENOPROTEINS (SELPROT) UNIV VILNIUS (LT) 2018-10-17 — — EP disclosed
EP-2897945-B1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 — — EP disclosed
EP-2897947-B1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 — — EP disclosed
EP-2897941-B1 PRODRUGS OF 1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-09-07 — — EP disclosed
US-9273075-B2 Prodrugs of 1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 — — US disclosed
US-9273014-B2 Bis(fluoroalkyl)-1,4-benzodiazepinone compounds and prodrugs thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 — — US disclosed
US-9242941-B2 Alkyl, fluoroalkyl-1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 — — US disclosed
US-20150239851-A1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-METERS SQUIBB COMPANY (US) 2015-08-27 — — US disclosed
US-8916609-B2 Compounds as L-cystine crystallization inhibitors and uses thereof NEW YORK UNIVERSITY (US) 2014-12-23 — — US disclosed
US-8916609-B2 Compounds as L-cystine crystallization inhibitors and uses thereof NEW YORK UNIVERSITY (US) 2014-12-23 — — US disclosed
WO-2014047391-A1 PRODRUGS OF 1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-27 — — WO disclosed
WO-2014047374-A1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-27 — — WO disclosed
WO-2014047372-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-27 — — WO disclosed
US-20140087992-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF BRISTOL-MYERS SQUIBB COMPANY 2014-03-27 — — US disclosed
US-20120316236-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF NEW YORK UNIVERSITY 2012-12-13 — — US disclosed
US-20120316236-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF NEW YORK UNIVERSITY 2012-12-13 — — US disclosed
US-5157123-A S-(2-THIOPYRIDYL)-L-CYSTEINE, A HETEROBIFUNCTIONAL CROSSLINKING REAGENT GEORGETOWN UNIVERSITY (US) 1992-10-20 — — US disclosed
WO-1990010621-A1 SITE-SPECIFIC HETEROBIFUNCTIONAL CROSSLINKING REAGENTS GEORGETOWN UNIVERSITY (US) 1990-09-20 — — 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 (5 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-20140087992-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF CNR1, ROR1, RORB CYP1A2 202/4885CYP2C9 281/4885CYP2C19 96/4885
US-20150239851-A1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, NR1I3 CYP1A2 210/4885CYP2C9 326/4885CYP2C19 173/4885
US-10759748-B2 Compounds as L-cystine crystallization inhibitors and uses thereof ATP6V1B1, GLS, REN CYP1A2 2776/4885CYP2C9 1461/4885CYP2C19 2452/4885
US-20120316236-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF ATP6V1B1, GLS, REN CYP1A2 2776/4885CYP2C9 1461/4885CYP2C19 2452/4885
US-20230151054-A1 SULFUR EXTRUSION FROM DISULFIDES BY CARBENES TST, CBS, CTH CYP1A2 1247/4885CYP2C9 760/4885CYP2C19 889/4885

“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.