SCHEMBL21175429

SCHEMBL21175429

CC(CC#N)N(CCC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.39
CTSK P43235 14/20 0.39
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CA14 Q9ULX7 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL21175428 1.00 CTSS (0.39) CTSSCTSKCTSLCTSBCA14
SCHEMBL343493 0.85 CTSS (0.38) CTSSCTSKCTSLCTSBHDAC6
SCHEMBL343494 0.85 CTSS (0.38) CTSSCTSKCTSLCTSBHDAC6
SCHEMBL21192610 0.84 SMN1; SMN2 (0.32) CTSSCTSKHDAC1HDAC2HDAC6
SCHEMBL20014820 0.84 SMN1; SMN2 (0.32) CTSSCTSKHDAC1HDAC2HDAC6
SCHEMBL16812742 0.82 CTSK (0.37) CTSSCTSKCTSLCTSBHDAC1
SCHEMBL18281954 0.82 CTSS (0.34) CTSSCTSKCA14HDAC1HDAC2
SCHEMBL18285697 0.81 CA14 (0.37) CTSSCTSKCA14HDAC1HDAC2
SCHEMBL28478854 0.81 CTSS (0.33) CTSSCTSKCTSLCTSB
SCHEMBL23564375 0.81 CTSL (0.37) CTSSCTSKCTSLCTSBCA14

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
EP-4097099-B1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO INC (US) 2024-06-26 EP disclosed
US-11926643-B2 Heterocyclic GLP-1 agonists GASHERBRUM BIO, INC. (US) 2024-03-12 US disclosed
US-20230174565-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2023-06-08 US disclosed
CN-115698003-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-02-03 CN disclosed
US-20190225604-A1 PYRAZOLOPYRIDINE DERIVATIVE HAVING GLP-1 RECEPTOR AGONIST EFFECT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2019-07-25 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 (3 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-20190225604-A1 PYRAZOLOPYRIDINE DERIVATIVE HAVING GLP-1 RECEPTOR AGONIST EFFECT GLP1R, GPR119, GIPR CTSS 4743/4885CTSK 4144/4885CTSL 4570/4885
US-11926643-B2 Heterocyclic GLP-1 agonists GLP1R, GIPR, GCGR CTSS 2856/4885CTSK 2553/4885CTSL 2203/4885
US-20230174565-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR CTSS 2856/4885CTSK 2553/4885CTSL 2203/4885

“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.