SCHEMBL21154982

SCHEMBL21154982

CC(C)NCCCCC(NSS)C(=O)NC(CCCCNC(C)C)C(=O)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32
▸ OPRK1 P41145 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL20016488 0.83 OPRK1 (0.33) ITGB3ITGA2BOPRK1
SCHEMBL19062769 0.83 OPRK1 (0.33) ITGB3ITGA2BOPRK1
SCHEMBL24239548 0.83 OPRK1 (0.33) ITGB3ITGA2BOPRK1
SCHEMBL19700526 0.82 MMP3 (0.38) ITGB3ITGA2BOPRK1
SCHEMBL21902132 0.81 OPRK1 (0.31) ITGB3ITGA2BOPRK1
SCHEMBL24220950 0.77 NMT2 (0.32) ITGB3ITGA2B
SCHEMBL18929779 0.76 OPRK1 (0.30) OPRK1
SCHEMBL16248631 0.75 KDM4E (0.35) ITGB3ITGA2BNPSR1
SCHEMBL25132732 0.75 KDM4E (0.35) ITGB3ITGA2BNPSR1
SCHEMBL17662433 0.75 KDM4E (0.35) ITGB3ITGA2BNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10751419-B2 Method for synthesis of reactive conjugate clusters IONIS PHARMACEUTICALS, INC. (US) 2020-08-25 — — US disclosed
US-20190209694-A1 METHOD FOR SYNTHESIS OF REACTIVE CONJUGATE CLUSTERS IONIS PHARMACEUTICALS, INC. (US) 2019-07-11 — — 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-10751419-B2 Method for synthesis of reactive conjugate clusters ACOT7, COASY, LCAT ITGB3 1933/4885ITGA2B 2143/4885OPRK1 4627/4885
US-20190209694-A1 METHOD FOR SYNTHESIS OF REACTIVE CONJUGATE CLUSTERS ACOT7, COASY, LCAT ITGB3 1933/4885ITGA2B 2143/4885OPRK1 4627/4885

“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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