SCHEMBL7540477

SCHEMBL7540477

CC(=O)S[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC(C)(C)N(CC(=O)O)C1=O

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.73
MME P08473 5/20 0.48

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
SCHEMBL7540483 1.00 ACE (0.73) ACEMME
SCHEMBL8837721 0.91 ACE (0.60) ACEMME
SCHEMBL8837709 0.91 ACE (0.60) ACEMME
SCHEMBL8837711 0.91 ACE (0.60) ACEMME
SCHEMBL8837731 0.91 ACE (0.60) ACEMME
Gemopatrilat SCHEMBL5213866 0.85 ACE (1.00) ACEMME
Gemopatrilat SCHEMBL1973289 0.85 ACE (1.00) ACEMME
Gemopatrilat SCHEMBL13575789 0.85 ACE (1.00) ACEMME
SCHEMBL8485277 0.81 ACE (0.56) ACEMME
SCHEMBL8430427 0.80 ACE (0.49) ACEMME

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-6444810-B1 ACYLMERCAPTOALKANOYLAMINO LACTAM ESTERS OR ACIDS ARE CONVERTED TO THE CORRESPONDING MERCAPTOALKANOYLAMINO LACTAM ESTER OR ACID UNDER BASIC CONDITIONS USING AN AGENT THAT MINIMIZES AMOUNT OF DISULFIDES BRISTOL-MYERS SQUIBB CO. 2002-09-03 US claimed
EP-1051419-A4 DEPROTECTION AND RECRYSTALLIZATION PROCESSES BRISTOL MYERS SQUIBB CO (US) 2002-08-28 EP claimed
US-20020086994-A1 Acylmercaptoalkanoylamino lactam esters or acids are converted to the corresponding mercaptoalkanoylamino lactam ester or acid under basic conditions using an agent that minimizes amount of disulfides KRONENTHAL DAVID R (US) 2002-07-04 US claimed
EP-1051419-A1 DEPROTECTION AND RECRYSTALLIZATION PROCESSES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-15 EP claimed
WO-1999035145-A1 DEPROTECTION AND RECRYSTALLIZATION PROCESSES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-07-15 WO claimed
US-6486315-B2 RECRYSTALLIZING MERCAPTOALKANOYLAMINO LACTAM ACID UNDER BASIC CONDITIONS USING AN AGENT THAT MINIMIZES AMOUNT OF DISULFIDES BRISTOL-MYERS SQUIBB CO. 2002-11-26 US disclosed
US-6444810-B1 ACYLMERCAPTOALKANOYLAMINO LACTAM ESTERS OR ACIDS ARE CONVERTED TO THE CORRESPONDING MERCAPTOALKANOYLAMINO LACTAM ESTER OR ACID UNDER BASIC CONDITIONS USING AN AGENT THAT MINIMIZES AMOUNT OF DISULFIDES BRISTOL-MYERS SQUIBB CO. 2002-09-03 US disclosed
US-20020086995-A1 Recrystallization processes KRONENTHAL DAVID R (US) 2002-07-04 US disclosed
US-20020086994-A1 Acylmercaptoalkanoylamino lactam esters or acids are converted to the corresponding mercaptoalkanoylamino lactam ester or acid under basic conditions using an agent that minimizes amount of disulfides KRONENTHAL DAVID R (US) 2002-07-04 US disclosed
US-6340752-B1 CLEAVAGE OF THIO GROUP FROM CARBONYL AND CONVERSION TO LACTAM ESTER BRISTOL-MYERS SQUIBB CO. 2002-01-22 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-20020086994-A1 Acylmercaptoalkanoylamino lactam esters or acids are converted to the corresponding mercaptoalkanoylamino lactam ester or acid under basic conditions using an agent that minimizes amount of disulfides MPST, PTMS, TST ACE 315/4885MME 493/4885
US-20020086995-A1 Recrystallization processes MPST, TST, SLC39A11 ACE 1296/4885MME 1673/4885

“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.