SCHEMBL22727309

SCHEMBL22727309

CC(C)NC(=O)[C@H](CCCCNC(=O)C(C)C)NC(=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ NMT2 O60551 3/20 0.41
▸ NMT1 P30419 3/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SIRT5 Q9NXA8 3/20 0.40
▸ FOLH1 Q04609 1/20 0.37
▸ DPP7 Q9UHL4 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ ALDH1A2 O94788 1/20 0.36
▸ ALDH2 P05091 1/20 0.36
▸ ALDH1A3 P47895 1/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ TGM2 P21980 1/20 0.36
▸ GNAI3 P08754 1/20 0.36
▸ GNAO1 P09471 1/20 0.36

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
SCHEMBL26840286 1.00 SIRT6 (0.44) SIRT6SIRT1NMT2NMT1EPHX1
SCHEMBL19543651 0.85 NMT2 (0.52) SIRT6SIRT1NMT2NMT1CYP2D6
SCHEMBL25546409 0.85 SIRT6 (0.42) SIRT6SIRT1NMT2NMT1EPHX1
SCHEMBL32679725 0.83 FOLH1 (0.50) SIRT6SIRT1CYP2D6CYP2C9CYP2C19
Zinc Ion SCHEMBL31283440 0.82 SIRT6 (0.40) SIRT6SIRT1NMT2NMT1EPHX1
SCHEMBL22026768 0.80 SIRT1 (0.41) SIRT6SIRT1NMT2NMT1EPHX1
SCHEMBL26989737 0.80 DPP7 (0.56) SIRT6SIRT1EPHX1CYP2D6CYP2C9
SCHEMBL19341926 0.80 FOLH1 (0.57) EPHX1KMT2AFOLH1ALDH1A1
SCHEMBL861034 0.78 KMT2A (0.57) EPHX1CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL16283730 0.76 NOD1 (0.50) SIRT6SIRT1NMT2NMT1CYP2D6

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-20200376130-A1 COMPOUNDS AND METHODS USEFUL IN BRACHYTHERAPY NORTH CAROLINA STATE UNIVERSITY 2020-12-03 — — 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-20200376130-A1 COMPOUNDS AND METHODS USEFUL IN BRACHYTHERAPY FOLH1, DNPEP, UNG SIRT6 1214/4885SIRT1 2663/4885NMT2 2243/4885

“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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