SCHEMBL3063528

SCHEMBL3063528

COC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 11/20 0.61
SIRT1 Q96EB6 9/20 0.61
SIRT3 Q9NTG7 6/20 0.61
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CTSL P07711 2/20 0.53
CTSS P25774 1/20 0.53
KYNU Q16719 1/20 0.52
SIRT5 Q9NXA8 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGAV P06756 1/20 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
Hydrochloric Acid SCHEMBL10872062 0.99 SIRT2 (0.60) SIRT2SIRT1SIRT3CA1CA2
SCHEMBL27892488 0.96 SIRT2 (0.57) SIRT2SIRT1SIRT3CA1CA2
SCHEMBL9500591 0.93 SIRT2 (0.54) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL631840 0.91 FOLH1 (0.59) SIRT2SIRT1CTSLCTSSSIRT5
SCHEMBL6768020 0.91 FOLH1 (0.59) SIRT2SIRT1CTSLCTSSSIRT5
SCHEMBL5145708 0.91 FOLH1 (0.59) SIRT2SIRT1CTSLCTSSSIRT5
Hydrochloric Acid SCHEMBL29401494 0.90 FOLH1 (0.58) SIRT2SIRT1CTSLCTSSSIRT5
Hydrochloric Acid SCHEMBL333888 0.90 FOLH1 (0.58) SIRT2SIRT1CTSLCTSSSIRT5
Water SCHEMBL7274005 0.90 FOLH1 (0.58) SIRT2SIRT1CTSLCTSSSIRT5
Hydrochloric Acid SCHEMBL333889 0.90 FOLH1 (0.58) SIRT2SIRT1CTSLCTSSSIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222549-A1 DECHALCOGENATIVE METHODS FOR THE PREPARATION OF ALLYLIC SULFIDES NIH-DEITR 2010-09-02 US disclosed
EP-2139859-A1 DECHALCOGENATIVE METHODS FOR THE PREPARATION OF ALLYLIC SULFIDES The Board Of Trustees Of The University Of Illinois (US) 2010-01-06 EP disclosed
WO-2008134058-A1 DECHALCOGENATIVE METHODS FOR THE PREPARATION OF ALLYLIC SULFIDES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-11-06 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-20100222549-A1 DECHALCOGENATIVE METHODS FOR THE PREPARATION OF ALLYLIC SULFIDES TST, SCLY, AP2S1 SIRT2 1925/4885SIRT1 3205/4885SIRT3 1738/4885

“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.