SCHEMBL4888176

SCHEMBL4888176

O=C(O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NMBR P28336 11/20 0.56
TACR1 P25103 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
SIRT3 Q9NTG7 1/20 0.52
TACR3 P29371 1/20 0.51
PIN1 Q13526 2/20 0.51
SIRT5 Q9NXA8 1/20 0.46

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
SCHEMBL4614285 0.90 NMBR (0.52) NMBRTACR1SIRT2SIRT1SIRT3
SCHEMBL6013894 0.89 NMBR (0.61) NMBRTACR1TACR3
SCHEMBL3795866 0.81 NMBR (0.68) NMBRSIRT5
SCHEMBL26418441 0.81 NMBR (0.45) NMBRTACR1
SCHEMBL26418455 0.81 NMBR (0.45) NMBRTACR1
SCHEMBL4888188 0.80 KMT2A (0.42) PIN1SIRT5
SCHEMBL9088692 0.80 NMBR (0.72) NMBRTACR1TACR3
SCHEMBL4930789 0.80 NMBR (0.58) NMBRTACR1TACR3
SCHEMBL4930779 0.80 NMBR (0.58) NMBRTACR1TACR3
SCHEMBL16915248 0.80 NMBR (0.58) NMBRTACR1TACR3

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-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 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 (2 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 NMBR 2134/4885TACR1 2490/4885SIRT2 1616/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH NMBR 3131/4885TACR1 4633/4885SIRT2 3095/4885

“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.