SCHEMBL14012350

SCHEMBL14012350

CCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCN[C@H](C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(C)cc1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.38
▸ SIRT1 Q96EB6 5/20 0.37
▸ SIRT2 Q8IXJ6 4/20 0.37
▸ FURIN P09958 3/20 0.37
▸ PLAU P00749 1/20 0.36
▸ HPN P05981 1/20 0.36
▸ GLP1R P43220 8/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA4 P22748 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35

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
SCHEMBL14012359 0.96 HTT (0.37) HTTSIRT1SIRT2FURINPLAU
SCHEMBL14012349 0.91 TLR2 (0.41) SIRT1SIRT2FURINGLP1RCA12
SCHEMBL13310984 0.88 FAP (0.36) HTTSIRT1SIRT2FURIN
SCHEMBL13401426 0.87 GLP1R (0.40) FURINGLP1R
SCHEMBL22138371 0.87 FURIN (0.44) HTTSIRT1SIRT2FURINGLP1R
SCHEMBL10084803 0.86 HTT (0.42) HTTSIRT1SIRT2FURINPLAU
SCHEMBL23429029 0.84 HTT (0.41) HTTFURINPLAUHPN
SCHEMBL22138449 0.84 SIRT1 (0.41) HTTSIRT1SIRT2FURIN
SCHEMBL24829575 0.84 SIRT1 (0.41) HTTSIRT1SIRT2FURIN
SCHEMBL13401455 0.82 GLP1R (0.38) FURINGLP1R

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-20080279868-A1 Antibody-Drug Conjugates and Methods of Use MEDAREX, INC. (US) 2008-11-13 — — 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-20080279868-A1 Antibody-Drug Conjugates and Methods of Use CD47, ANTXR2, CD2BP2 HTT 1888/4885SIRT1 4116/4885SIRT2 3355/4885

“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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