SCHEMBL1587596

SCHEMBL1587596

COc1cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc2ccccc2)cc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 12/20 0.51
SIRT2 Q8IXJ6 13/20 0.49
SIRT5 Q9NXA8 6/20 0.49
SIRT3 Q9NTG7 4/20 0.49

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
SCHEMBL9488093 1.00 SIRT1 (0.51) SIRT1SIRT2SIRT5SIRT3
SCHEMBL1074473 0.95 SIRT1 (0.47) SIRT1SIRT2SIRT5SIRT3
SCHEMBL9489607 0.89 SIRT2 (0.44) SIRT1SIRT2SIRT5SIRT3
SCHEMBL9489620 0.89 SIRT2 (0.44) SIRT1SIRT2SIRT5SIRT3
SCHEMBL6696292 0.88 PTGER4 (0.46) SIRT1SIRT2SIRT5SIRT3
SCHEMBL9614367 0.87 NPY4R (0.42)
SCHEMBL29985699 0.86 SIRT1 (0.54) SIRT1SIRT2SIRT3
SCHEMBL1803249 0.86 SIRT5 (0.54) SIRT1SIRT2SIRT5SIRT3
SCHEMBL28595330 0.85 KDM4E (0.38) SIRT1SIRT2
SCHEMBL28595326 0.85 KDM4E (0.38) SIRT1SIRT2

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-20110092484-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR CEREBRAL ANEURYSM NIPPON CHEMIPHAR CO., LTD. (JP) 2011-04-21 US disclosed
EP-2168600-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR CEREBRAL ANEURYSM Nippon Chemiphar Co., Ltd. (JP) 2010-03-31 EP disclosed
EP-0255341-B1 REAGENT FOR TESTING PERIODONTAL DISEASES SUNSTAR KABUSHIKI KAISHA (JP) 1993-02-03 EP disclosed
US-5137811-A Method for diagnosing periodontal diseases with a substrate specific for aminopeptidase activity of periodontopathic bacteria SUNSTAR KABUSHIKI KAISHA (JP) 1992-08-11 US disclosed
EP-0255341-A2 Reagent for testing periodontal diseases SUNSTAR KABUSHIKI KAISHA (JP) 1988-02-03 EP 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-20110092484-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR CEREBRAL ANEURYSM SERPINB1, ECE1, MME SIRT1 833/4885SIRT2 946/4885SIRT5 629/4885

“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.