SCHEMBL21312758

SCHEMBL21312758

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.58
CD2 P06729 1/20 0.53
CD58 P19256 1/20 0.53
SSTR2 P30874 11/20 0.49
SSTR5 P35346 10/20 0.49
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
SSTR4 P31391 11/20 0.47
SRC P12931 1/20 0.47
SSTR3 P32745 8/20 0.47
SSTR1 P30872 5/20 0.47
CACNA1B Q00975 1/20 0.46
MLNR O43193 2/20 0.46
CXCR4 P61073 1/20 0.44

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
SCHEMBL22844368 1.00 OXTR (0.58) OXTRCD2CD58SSTR2SSTR5
SCHEMBL22891909 0.94 OXTR (0.59) OXTRCD2CD58SSTR2SSTR5
SCHEMBL23968131 0.94 OXTR (0.59) OXTRCD2CD58SSTR2SSTR5
SCHEMBL22618578 0.93 SSTR2 (0.56) OXTRCD2CD58SSTR2SSTR5
SCHEMBL23968133 0.93 SSTR2 (0.56) OXTRCD2CD58SSTR2SSTR5
SCHEMBL22618582 0.93 SSTR2 (0.56) OXTRCD2CD58SSTR2SSTR5
SCHEMBL20465752 0.86 SSTR2 (0.69) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL19682057 0.85 OXTR (0.52) OXTRCD2CD58SSTR2SSTR5
SCHEMBL24348771 0.83 SSTR2 (0.51) OXTRCD2CD58SSTR2SSTR5
SCHEMBL26814255 0.83 SSTR2 (0.54) SSTR2SSTR5SSTR4SSTR3SSTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11213590-B2 SSTR-targeted conjugates and particles and formulations thereof TARVEDA THERAPEUTICS, INC. (US) 2022-01-04 US disclosed
US-11160871-B2 SSTR-targeted conjugates and particles and formulations thereof TARVEDA THERAPEUTICS, INC. (US) 2021-11-02 US disclosed
US-10624967-B2 Targeted conjugates and particles and formulations thereof TARVEDA THERAPEUTICS, INC. (US) 2020-04-21 US disclosed
US-20190262460-A1 SSTR-TARGETED CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF TVA (ABC), LLC 2019-08-29 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 (4 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-10624967-B2 Targeted conjugates and particles and formulations thereof SSTR5, SSTR1, SSTR4 OXTR 360/4885CD2 680/4885CD58 312/4885
US-20190262460-A1 SSTR-TARGETED CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF SSTR1, SSTR4, SSTR3 OXTR 83/4885CD2 403/4885CD58 954/4885
US-11213590-B2 SSTR-targeted conjugates and particles and formulations thereof SSTR1, SSTR4, SSTR3 OXTR 83/4885CD2 403/4885CD58 954/4885
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.