SCHEMBL18822697

SCHEMBL18822697

C=C(CBr)C(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)NCC(=O)N[C@@H](CCCNC=O)C(=O)Nc1ccc(COC)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 10/20 0.34
SIRT1 Q96EB6 9/20 0.34
SIRT5 Q9NXA8 5/20 0.33
SIRT3 Q9NTG7 4/20 0.32
NPC1 O15118 1/20 0.32
THRB P10828 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GLP1R P43220 3/20 0.31

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
SCHEMBL20078727 0.90 SIRT2 (0.34) SIRT2SIRT1SIRT5SIRT3NPC1
SCHEMBL20197894 0.73 SIRT2 (0.41) SIRT2SIRT1SIRT5SIRT3
SCHEMBL24774073 0.71 KLKB1 (0.44) SIRT2SIRT1SIRT5
SCHEMBL24860401 0.71 HDAC1 (0.39) SIRT2SIRT1SIRT5
SCHEMBL26273239 0.71 SIRT2 (0.44) SIRT2SIRT1SIRT5SIRT3
SCHEMBL21781895 0.70 SIRT2 (0.33) SIRT2SIRT1SIRT5SIRT3
SCHEMBL24164897 0.70 FURIN (0.42) SIRT2SIRT1SIRT5SIRT3
SCHEMBL20729911 0.69 LMNA (0.36) SIRT2SIRT1SIRT5SIRT3SMN1; SMN2
SCHEMBL21782008 0.69 CHRNB2 (0.44) SIRT2SIRT1
SCHEMBL25128878 0.68 MMP2 (0.38) SIRT2SIRT1SIRT5

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-9951141-B2 Antibody-drug conjugates, their preparation and their therapeutic use REGENERON PHARMACEUTICALS, INC. (US) 2018-04-24 US disclosed
US-20170121413-A1 ANTIBODY-DRUG CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE REGENERON PHARMACEUTICALS, INC. 2017-05-04 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-20170121413-A1 ANTIBODY-DRUG CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE CD22, CD47, CD2 SIRT2 4451/4885SIRT1 4412/4885SIRT5 3634/4885

“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.