SCHEMBL2596538

SCHEMBL2596538

O=CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.68
CNR1 P21554 3/20 0.60
MEN1 O00255 1/20 0.59
ABL1 P00519 1/20 0.59
LMNA P02545 1/20 0.59
PKM P14618 1/20 0.59
IDE P14735 1/20 0.59
MAPK1 P28482 1/20 0.59
KMT2A Q03164 1/20 0.59
RIN1 Q13671 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CNR2 P34972 2/20 0.59
PLCD1 P51178 1/20 0.58
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA9 Q16790 2/20 0.58
CAPN1 P07384 2/20 0.56
ITGB1 P05556 1/20 0.56
ITGA4 P13612 1/20 0.56

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
SCHEMBL13071624 1.00 TDP1 (0.68) TDP1CNR1MEN1ABL1LMNA
SCHEMBL22591238 1.00 TDP1 (0.68) TDP1CNR1MEN1ABL1LMNA
SCHEMBL15142516 1.00 TDP1 (0.68) TDP1CNR1MEN1ABL1LMNA
SCHEMBL18779801 0.92 TDP1 (0.78) TDP1MEN1ABL1LMNAPKM
SCHEMBL19033316 0.91 TDP1 (0.68) TDP1CNR1MEN1ABL1LMNA
SCHEMBL1685925 0.91 TDP1 (0.68) TDP1CNR1MEN1ABL1LMNA
SCHEMBL14020665 0.91 TDP1 (0.67) TDP1CNR1MEN1ABL1LMNA
SCHEMBL9412852 0.90 TDP1 (0.74) TDP1MEN1ABL1LMNAPKM
SCHEMBL13498152 0.89 F2 (0.65) TDP1CNR1PKMCNR2PLCD1
SCHEMBL21509082 0.89 TDP1 (0.60) TDP1CNR1MEN1ABL1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290791-B2 Reagents and methods for sirtuin capture CORNELL UNIVERSITY (US) 2016-03-22 US disclosed
US-9290791-B2 Reagents and methods for sirtuin capture CORNELL UNIVERSITY (US) 2016-03-22 US disclosed
US-20130065248-A1 REAGENTS AND METHODS FOR SIRTUIN CAPTURE CORNELL UNIVERSITY (US) 2013-03-14 US disclosed
US-20130065248-A1 REAGENTS AND METHODS FOR SIRTUIN CAPTURE CORNELL UNIVERSITY (US) 2013-03-14 US disclosed
WO-2011146636-A2 REAGENTS AND METHODS FOR SIRTUIN CAPTURE CORNELL UNIVERSITY (US) 2011-11-24 WO 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-20130065248-A1 REAGENTS AND METHODS FOR SIRTUIN CAPTURE SIRT3, SIRT1, SIRT2 TDP1 2621/4885CNR1 4062/4885MEN1 2523/4885

“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.