SCHEMBL21154983

SCHEMBL21154983

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 2/20 0.36
▸ OPRK1 P41145 1/20 0.35
▸ SIRT6 Q8N6T7 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ ITGB3 P05106 2/20 0.33
▸ ITGA2B P08514 2/20 0.33
▸ FOLH1 Q04609 1/20 0.33
▸ NMT2 O60551 1/20 0.32
▸ NMT1 P30419 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GNPAT O15228 1/20 0.32
▸ KISS1R Q969F8 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL29318735 0.89 EPHX1 (0.35) SIRT5OPRK1SIRT6SIRT1ITGB3
SCHEMBL22800098 0.89 KDM4E (0.35) OPRK1SIRT6SIRT1ITGB3ITGA2B
SCHEMBL22799569 0.89 KDM4E (0.35) OPRK1SIRT6SIRT1ITGB3ITGA2B
SCHEMBL23626256 0.86 NMT2 (0.42) SIRT5FOLH1NMT2NMT1
SCHEMBL24239548 0.86 OPRK1 (0.33) SIRT5OPRK1SIRT6SIRT1ITGB3
SCHEMBL19062769 0.86 OPRK1 (0.33) SIRT5OPRK1SIRT6SIRT1ITGB3
SCHEMBL18513363 0.82 SIRT5 (0.34) SIRT5OPRK1SIRT6SIRT1ITGB3
SCHEMBL21902132 0.81 OPRK1 (0.31) OPRK1ITGB3ITGA2B
SCHEMBL25129544 0.81 SIRT6 (0.38) SIRT6SIRT1ITGB3ITGA2BFOLH1
SCHEMBL24958429 0.80 KDM4E (0.35) SIRT5SIRT6SIRT1ITGB3ITGA2B

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-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 (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-20190209694-A1 METHOD FOR SYNTHESIS OF REACTIVE CONJUGATE CLUSTERS ACOT7, COASY, LCAT SIRT5 848/4885OPRK1 4627/4885SIRT6 1969/4885

“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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