SCHEMBL23968131

SCHEMBL23968131

CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSCCNC1=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.59
CD2 P06729 1/20 0.53
CD58 P19256 1/20 0.53
MLNR O43193 12/20 0.51
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
SRC P12931 1/20 0.48
GRB2 P62993 1/20 0.46
SSTR2 P30874 1/20 0.44
SSTR5 P35346 1/20 0.44
CTSD P07339 1/20 0.43
CXCR4 P61073 1/20 0.43

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
SCHEMBL22891909 1.00 OXTR (0.59) OXTRCD2CD58MLNROPRM1
SCHEMBL22844368 0.94 OXTR (0.58) OXTRCD2CD58MLNROPRM1
SCHEMBL21312758 0.94 OXTR (0.58) OXTRCD2CD58MLNROPRM1
SCHEMBL22618582 0.87 SSTR2 (0.56) OXTRCD2CD58OPRM1OPRD1
SCHEMBL23968133 0.87 SSTR2 (0.56) OXTRCD2CD58OPRM1OPRD1
SCHEMBL22618578 0.87 SSTR2 (0.56) OXTRCD2CD58OPRM1OPRD1
SCHEMBL20465752 0.81 SSTR2 (0.69) SSTR2SSTR5
SCHEMBL19682057 0.80 OXTR (0.52) OXTRCD2CD58MLNROPRM1
SCHEMBL26814255 0.78 SSTR2 (0.54) SSTR2SSTR5
SCHEMBL20091616 0.78 OXTR (0.77) OXTROPRM1OPRD1OPRK1GRB2

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-11160871-B2 SSTR-targeted conjugates and particles and formulations thereof TARVEDA THERAPEUTICS, INC. (US) 2021-11-02 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-11160871-B2 SSTR-targeted conjugates and particles and formulations thereof SSTR1, SSTR4, SSTR3 OXTR 83/4885CD2 403/4885CD58 954/4885

“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.