Sugi Predict

Sugi Predict / Compounds / SCHEMBL542270

SCHEMBL542270

SCHEMBL542270

CC(C)C[C@@H](C(=O)O)N1C(=O)CCCC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MCL1 Q07820 6/20 0.43
▸ MME P08473 1/20 0.42
▸ BCL2 P10415 5/20 0.41
▸ BCL2L2 Q92843 5/20 0.41
▸ PIK3CD O00329 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA3 P07451 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA13 Q8N1Q1 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37

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
SCHEMBL5705701 0.96 SMN1; SMN2 (0.50) ALDH1A1PKMSMN1; SMN2MCL1MME
SCHEMBL15623808 0.93 ALDH1A1 (0.53) ALDH1A1PKMSMN1; SMN2MCL1MME
SCHEMBL2813031 0.81 ALDH1A1 (0.53) ALDH1A1PKMSMN1; SMN2MMEPIK3CD
SCHEMBL8349277 0.81 SMN1; SMN2 (0.47) ALDH1A1PKMSMN1; SMN2MCL1MME
SCHEMBL3736109 0.78 ALDH1A1 (0.35) ALDH1A1PKMSMN1; SMN2MCL1MME
SCHEMBL1902141 0.76 ALDH1A1 (0.40) ALDH1A1PKMSMN1; SMN2MMEBCL2
SCHEMBL4597186 0.76 SMN1; SMN2 (0.48) ALDH1A1PKMSMN1; SMN2MCL1MME
SCHEMBL29901248 0.76 SMN1; SMN2 (0.48) ALDH1A1PKMSMN1; SMN2MCL1MME
SCHEMBL4597189 0.76 SMN1; SMN2 (0.48) ALDH1A1PKMSMN1; SMN2MCL1MME
SCHEMBL4597482 0.76 SMN1; SMN2 (0.48) ALDH1A1PKMSMN1; SMN2MCL1MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102573845-A Novel dicarboxylic acid linked amino acid and peptide prodrugs of opioids and uses thereof SHIRE LLC 2012-07-11 — — CN disclosed
EP-2413937-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF Shire LLC (US) 2012-02-08 — — EP disclosed
US-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2010-11-11 — — US disclosed
WO-2010112942-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2010-10-07 — — WO disclosed
EP-0892853-B1 COMPARTMENTALIZATION METHOD FOR SCREENING MICROORGANISMS GENENCOR INT (US) 2004-10-06 — — EP disclosed
CN-1159444-C Mutated penicilling acylase genes DSM 2004-07-28 — — CN disclosed
US-6033823-A Mutated penicillin G acylase genes DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V., (NL) 2000-03-07 — — US disclosed
EP-0775210-B1 MUTATED PENICILLIN G ACYLASE GENES DSM NV (NL) 2000-02-02 — — EP disclosed
US-6001586-A DETECTING BACTERIA, YEAST OR FILAMENTOUS FUNGI; PROVIDING PROPAGATION CONTAINER, PREPARING NUTRIENTS, INOCULATING CULTURES, PLACE CULTURES IN PROPAGATION CHAMBER, INCUBATING, AND SELECTING SPECIMEN; FOR ACCURATE SCREENING OF RANDOM GENENCOR INTERNATIONAL, INC. (US) 1999-12-14 — — US disclosed
US-5935831-A MUTATIONS IN AMINO ACID SEQUENCE OF ACYLASE RESULT IN ALTERATED SUBSTRATE SPECIFICITY; FOR ACYLATION OR DEACYLATION OF CEPHALOSPORIN AND PENICILLIN ANTIBIOTICS GIST-BROCADES, N.V. (NL) 1999-08-10 — — US disclosed
WO-1997037036-A1 COMPARTMENTALIZATION METHOD FOR SCREENING MICROORGANISMS GENENCOR INTERNATIONAL, INC. (US) 1997-10-09 — — WO disclosed
CN-1158638-A Mutated penicilling acylase Genes GIST BROCADES BV (NL) 1997-09-03 — — CN disclosed
EP-0775210-A1 MUTATED PENICILLIN G ACYLASE GENES GIST-BROCADES B.V. (NL) 1997-05-28 — — EP disclosed
EP-0496993-B1 Enzymatic process for preparing 7-aminocephalosporanic acid and derivatives ANTIBIOTICOS SPA (IT) 1996-05-01 — — EP disclosed
WO-1996005318-A1 MUTATED PENICILLIN G ACYLASE GENES GIST-BROCADES B.V. (NL) 1996-02-22 — — WO disclosed
US-5457032-A Having altered substrate specificity GIST-BROCADES NV (NL) 1995-10-10 — — US disclosed
US-5424196-A Oxidative deamination of Cephalosporin C by immobilized D-aminoacid oxidase (Rhodotorula) and oxygen; deacetylation using immobilized glutaryl-7-aminocephalosporanic acid acylase; water-insoluble and reuseable enzyme supports ANTIBIOTICOS S.P.A. (IT) 1995-06-13 — — US disclosed
EP-0496993-A1 Enzymatic process for preparing 7-aminocephalosporanic acid and derivatives ANTIBIOTICOS, S.p.A. (IT) 1992-08-05 — — EP disclosed
WO-1991016435-A1 MUTATED BETA-LACTAM ACYLASE GENES GIST-BROCADES N.V. (NL) 1991-10-31 — — WO disclosed
EP-0453048-A1 Mutated beta-lactam acylase genes GIST-BROCADES N.V. (NL) 1991-10-23 — — EP 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-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF VIP, OPRL1, OPRK1 ALDH1A1 1313/4885PKM 868/4885SMN1; SMN2 2249/4885

“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.