SCHEMBL18513363

SCHEMBL18513363

CSCNC(CCCCNC(C)C)C(=O)NC(CCCCNC(C)C)C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 2/20 0.34
▸ FOLH1 Q04609 3/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ GNPAT O15228 1/20 0.32
▸ SIRT6 Q8N6T7 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NMT2 O60551 1/20 0.30
▸ NMT1 P30419 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
SCHEMBL21154983 0.82 SIRT5 (0.36) SIRT5FOLH1OPRK1GNPATSIRT6
SCHEMBL21297373 0.80 KDM4E (0.32) FOLH1
SCHEMBL22800098 0.74 KDM4E (0.35) FOLH1OPRK1SIRT6SIRT1ITGB3
SCHEMBL15315080 0.74 KISS1R (0.36) FOLH1OPRK1SIRT6SIRT1ITGB3
SCHEMBL17642082 0.74 KISS1R (0.36) FOLH1OPRK1SIRT6SIRT1ITGB3
SCHEMBL22799569 0.74 KDM4E (0.35) FOLH1OPRK1SIRT6SIRT1ITGB3
SCHEMBL24235491 0.72 KISS1R (0.34) FOLH1SIRT6SIRT1ITGB3ITGA2B
SCHEMBL16021384 0.72 FOLH1 (0.47) FOLH1
SCHEMBL20016499 0.72 NMT1 (0.50) SIRT5NMT2NMT1
SCHEMBL19700526 0.71 MMP3 (0.38) FOLH1OPRK1SIRT6SIRT1ITGB3

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-20170043025-A1 METHOD FOR SYNTHESIS OF REACTIVE CONJUGATE CLUSTERS IONIS PHARMACEUTICALS, INC. (US) 2017-02-16 — — 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-20170043025-A1 METHOD FOR SYNTHESIS OF REACTIVE CONJUGATE CLUSTERS ACOT7, COASY, LCAT SIRT5 848/4885FOLH1 1198/4885OPRK1 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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