SCHEMBL4407907

SCHEMBL4407907

CCC(C)(C)CCC(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
CTSL P07711 4/20 0.52
CTSS P25774 3/20 0.52
CTSB P07858 2/20 0.52
PPARA Q07869 3/20 0.51
PPARG P37231 1/20 0.51
ITGB3 P05106 2/20 0.51
ITGA2B P08514 2/20 0.51
CTSK P43235 5/20 0.50
SYK P43405 1/20 0.50
MBOAT4 Q96T53 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL14567484 1.00 SIRT2 (0.53) SIRT2SIRT1CTSLCTSSCTSB
SCHEMBL4837891 0.91 KYNU (0.55) SIRT2SIRT1CTSLCTSSCTSB
SCHEMBL4837883 0.91 KYNU (0.55) SIRT2SIRT1CTSLCTSSCTSB
SCHEMBL25365816 0.88 CTSL (0.58) SIRT2SIRT1CTSLCTSSCTSB
SCHEMBL25365812 0.88 CTSL (0.58) SIRT2SIRT1CTSLCTSSCTSB
SCHEMBL18775057 0.87 CTSS (0.57) SIRT2SIRT1CTSLCTSSCTSB
SCHEMBL13863699 0.87 CTSS (0.57) SIRT2SIRT1CTSLCTSSCTSB
SCHEMBL18775053 0.87 CTSS (0.57) SIRT2SIRT1CTSLCTSSCTSB
SCHEMBL4314391 0.86 SIRT2 (0.52) SIRT2SIRT1CTSLCTSSCTSB
SCHEMBL4314399 0.86 SIRT2 (0.52) SIRT2SIRT1CTSLCTSSCTSB

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
EP-1682506-B1 DIPEPTIDE-ANALOGUE SYNTHESIS BOEHRINGER INGELHEIM PHARMA (US) 2009-12-30 EP disclosed
US-7186827-B2 Dipeptide synthesis BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-06 US disclosed
EP-1682506-A1 DIPEPTIDE-ANALOGUE SYNTHESIS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-07-26 EP disclosed
US-20050113572-A1 Dipeptide synthesis BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-26 US disclosed
WO-2005044799-A1 DIPEPTIDE-ANALOGUE SYNTHESIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-19 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-20050113572-A1 Dipeptide synthesis DNPEP, VIP, ASNS SIRT2 3246/4885SIRT1 3622/4885CTSL 360/4885

“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.