SCHEMBL2073840

SCHEMBL2073840

CC(C)(C)OC(=O)CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 7/20 0.61
SIRT1 Q96EB6 6/20 0.61
FOLH1 Q04609 2/20 0.53
SIRT3 Q9NTG7 3/20 0.52
SYK P43405 1/20 0.51
PPARA Q07869 1/20 0.51
TGM2 P21980 2/20 0.51
MAPT P10636 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
CTSL P07711 1/20 0.49
CTSS P25774 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
SCHEMBL17183393 1.00 SIRT2 (0.61) SIRT2SIRT1FOLH1SIRT3SYK
SCHEMBL8113270 0.95 SIRT2 (0.55) SIRT2SIRT1FOLH1SYKPPARA
SCHEMBL2072888 0.92 SIRT2 (0.62) SIRT2SIRT1SIRT3SYKMAPT
SCHEMBL7821853 0.91 FOLH1 (0.54) SIRT2SIRT1FOLH1SYKPPARA
SCHEMBL5971174 0.91 PPARA (0.55) SIRT2SIRT1FOLH1SYKPPARA
SCHEMBL2776833 0.91 PPARA (0.55) SIRT2SIRT1FOLH1SYKPPARA
SCHEMBL42877 0.91 PPARA (0.55) SIRT2SIRT1FOLH1SYKPPARA
SCHEMBL14596694 0.89 CTSL (0.51) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL31301793 0.89 SYK (0.53) SIRT2SIRT1SIRT3SYKPPARA
SCHEMBL4837626 0.89 SIRT2 (0.64) SIRT2SIRT1SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914589-B1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM - SCIENCE PARK S P A (IT) 2017-08-30 EP disclosed
US-9365541-B2 Compounds for use in the treatment of parasitic diseases IRBM—SCIENCE PARK S.P.A. (IT) 2016-06-14 US disclosed
US-9314468-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-20150299163-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM - SCIENCE PARK S.P.A. (IT) 2015-10-22 US disclosed
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP disclosed
US-20130172330-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 US disclosed
US-7799803-B2 Hydroxamic acid compounds and methods of use thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-09-21 US disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
US-7345174-B2 Cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-03-18 US disclosed
US-7345174-B2 Cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-03-18 US disclosed
US-20070155785-A1 Hydroxamic acid compounds and methods of use thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-07-05 US disclosed
US-7199134-B2 Hydroxamic acid compounds and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2007-04-03 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 (4 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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 SIRT2 44/4885SIRT1 21/4885FOLH1 2876/4885
US-20150299163-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES HDAC3, HDAC5, HDAC1 SIRT2 25/4885SIRT1 23/4885FOLH1 521/4885
US-20070155785-A1 Hydroxamic acid compounds and methods of use thereof HDAC5, BRDT, HDAC1 SIRT2 156/4885SIRT1 116/4885FOLH1 1369/4885
US-20130172330-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 SIRT2 3624/4885SIRT1 2436/4885FOLH1 1172/4885

“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.