SCHEMBL7566141

SCHEMBL7566141

CC1(C)C(=O)CC[C@H](N)C(=O)N1CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
ACE P12821 5/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33
DPP4 P27487 1/20 0.30

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
SCHEMBL3281359 0.79 ACE (0.48) KMT2AACESMN1; SMN2L3MBTL1CYP3A4
SCHEMBL7543963 0.79 ACE (0.48) KMT2AACESMN1; SMN2L3MBTL1CYP3A4
SCHEMBL23973988 0.78 L3MBTL1 (0.37) KMT2AACESMN1; SMN2L3MBTL1TSHR
SCHEMBL19185893 0.72 ACE (0.34) KMT2AACESMN1; SMN2L3MBTL1
SCHEMBL8430471 0.71 ACE (0.35) ACESMN1; SMN2L3MBTL1CYP3A4TSHR
Hydrochloric Acid SCHEMBL28958137 0.68 TSHR (0.41) KMT2AACESMN1; SMN2L3MBTL1CYP3A4
SCHEMBL7350853 0.68 ACE (0.47) ACESMN1; SMN2L3MBTL1CYP3A4TSHR
SCHEMBL6141057 0.65 ACE (0.59) KMT2AACESMN1; SMN2L3MBTL1CYP3A4
SCHEMBL11105046 0.65 KMT2A (0.38) KMT2AACESMN1; SMN2L3MBTL1TSHR
SCHEMBL385463 0.65 ACE (0.59) KMT2AACESMN1; SMN2L3MBTL1CYP3A4

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-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 KMT2A 484/4885ACE 315/4885SMN1; SMN2 2447/4885
US-20020086995-A1 Recrystallization processes MPST, TST, SLC39A11 KMT2A 2144/4885ACE 1296/4885SMN1; SMN2 2789/4885

“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.