SCHEMBL168105

SCHEMBL168105

CC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.49
CTSS P25774 11/20 0.49
CTSL P07711 2/20 0.47
CTSB P07858 2/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL14984731 1.00 CTSK (0.49) CTSKCTSSCTSLCTSBCA1
SCHEMBL11596489 0.88 CTSK (0.48) CTSKCTSSCTSLCTSBCA1
SCHEMBL2130020 0.88 CTSK (0.48) CTSKCTSSCTSLCTSBCA1
SCHEMBL17840460 0.88 CTSK (0.48) CTSKCTSSCTSLCTSBCA1
SCHEMBL13019134 0.87 CTSK (0.46) CTSKCTSSCTSLCTSBCA1
SCHEMBL1486220 0.87 CTSS (0.50) CTSKCTSSCTSLCTSBCA1
SCHEMBL688341 0.87 CTSS (0.50) CTSKCTSSCTSLCTSBCA1
SCHEMBL3323682 0.87 CTSS (0.50) CTSKCTSSCTSLCTSBCA1
SCHEMBL30385524 0.86 CYP1A2 (0.47) CTSKCTSSCTSLCTSBCA1
SCHEMBL4279525 0.86 CTSK (0.49) CTSKCTSSCTSLCTSBCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122010782-A Gelagliptin intermediate Process for the preparation of bulk compounds 四川定科制药有限公司 2026-05-12 CN disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
EP-2611776-B1 PRODUCTION METHOD OF INTERMEDIATE COMPOUND FOR SYNTHESIZING MEDICAMENT LG LIFE SCIENCES LTD (KR) 2016-09-21 EP disclosed
CN-103080088-B Production method of intermediate compound for synthesizing medicament LG LIFE SCIENCES LTD 2014-09-24 CN disclosed
US-8741927-B2 Production method of intermediate compound for synthesizing medicament LG LIFE SCIENCES LTD. (KR) 2014-06-03 US disclosed
EP-2611776-A2 PRODUCTION METHOD OF INTERMEDIATE COMPOUND FOR SYNTHESIZING MEDICAMENT LG Life Sciences Ltd (KR) 2013-07-10 EP disclosed
US-20130165659-A1 PRODUCTION METHOD OF INTERMEDIATE COMPOUND FOR SYNTHESIZING MEDICAMENT LG LIFE SCIENCES LTD. (KR) 2013-06-27 US disclosed
CN-103080088-A Production method of intermediate compound for synthesizing medicament LG LIFE SCIENCES LTD 2013-05-01 CN disclosed
US-8133892-B2 Compounds that are useful for improving pharmacokinetics ABBOTT LABORATORIES (US) 2012-03-13 US disclosed
WO-2012030106-A2 PRODUCTION METHOD OF INTERMEDIATE COMPOUND FOR SYNTHESIZING MEDICAMENT LG LIFE SCIENCES LTD. (KR) 2012-03-08 WO disclosed
US-7786153-B2 Compounds that are useful for improving pharmacokinetics ABBOTT LABORATORIES INC. (US) 2010-08-31 US disclosed
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics ABBVIE INC. 2006-09-07 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-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics CYP11B1, CYP11B2, CYP7A1 CTSK 2452/4885CTSS 2351/4885CTSL 2978/4885
US-20130165659-A1 PRODUCTION METHOD OF INTERMEDIATE COMPOUND FOR SYNTHESIZING MEDICAMENT DPP4, DPP7, DPP8 CTSK 272/4885CTSS 437/4885CTSL 111/4885

“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.