SCHEMBL22455037

SCHEMBL22455037

CCOC(C)(C)CCNC(=O)CC[C@@H](NC(=O)COC(C)C)C(=O)NCCC(C)(C)OCC

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.38
▸ CCKBR P32239 2/20 0.36
▸ CAPN1 P07384 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL23995637 0.89 GLP1R (0.34) GLP1RCCKBRCAPN1
SCHEMBL20380968 0.77 ALDH1A1 (0.44) CAPN1ALDH1A1
SCHEMBL22566705 0.76 GLP1R (0.46) GLP1RCCKBRCAPN1
SCHEMBL25847264 0.76 ALDH1A1 (0.41) ALDH1A1
SCHEMBL18715475 0.76 GLP1R (0.48) GLP1RCCKBRCAPN1
SCHEMBL19450704 0.75 CAPN1 (0.37) GLP1RCCKBRCAPN1
SCHEMBL22373639 0.73 CAPN1 (0.38) CAPN1
SCHEMBL22388954 0.72 KMT2A (0.36) CAPN1ALDH1A1
SCHEMBL20362595 0.72 CASP2 (0.47) ALDH1A1
SCHEMBL19543472 0.72 CCKBR (0.52) GLP1RCCKBRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200297865-A1 CONJUGATES COMPRISING SELF-IMMOLATIVE GROUPS AND METHODS RELATED THERETO LIGACHEM BIOSCIENCES INC. (KR) 2020-09-24 — — 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 (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-20200297865-A1 CONJUGATES COMPRISING SELF-IMMOLATIVE GROUPS AND METHODS RELATED THERETO LPO, NOXO1, DAO GLP1R 1774/4885CCKBR 3144/4885CAPN1 2978/4885

“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.

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