SCHEMBL3425337

SCHEMBL3425337

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 7/20 0.56
SIRT1 Q96EB6 6/20 0.56
SIRT3 Q9NTG7 3/20 0.56
SIRT5 Q9NXA8 1/20 0.52
SYK P43405 1/20 0.52
FOLH1 Q04609 2/20 0.52
HTT P42858 1/20 0.50
CTSL P07711 1/20 0.50
CTSS P25774 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
KLK7 P49862 1/20 0.50
KLK5 Q9Y337 1/20 0.50
CTSK P43235 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
SCHEMBL45541 0.91 SYK (0.56) SYKFOLH1CTSLCTSSCTSK
SCHEMBL23538215 0.91 SYK (0.56) SYKFOLH1CTSLCTSSCTSK
SCHEMBL5970914 0.91 SYK (0.56) SYKFOLH1CTSLCTSSCTSK
SCHEMBL10389689 0.90 SIRT2 (0.62) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL30649083 0.88 SYK (0.54) SIRT2SIRT1SIRT3SYKCTSL
SCHEMBL10166824 0.88 SYK (0.54) SIRT2SIRT1SIRT3SYKCTSL
SCHEMBL26896562 0.88 CTSL (0.60) SIRT2SIRT1SIRT3SYKCTSL
SCHEMBL20450593 0.88 FOLH1 (0.60) SIRT2SIRT1SIRT3FOLH1HTT
SCHEMBL20450594 0.88 FOLH1 (0.60) SIRT2SIRT1SIRT3FOLH1HTT
SCHEMBL31301793 0.87 SYK (0.53) SIRT2SIRT1SIRT3SYKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20040266818-A1 Hydroxamic acid compounds and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2004-12-30 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-20070155785-A1 Hydroxamic acid compounds and methods of use thereof HDAC5, BRDT, HDAC1 SIRT2 156/4885SIRT1 116/4885SIRT3 222/4885
US-20040266818-A1 Hydroxamic acid compounds and methods of use thereof HDAC5, BRDT, HDAC1 SIRT2 156/4885SIRT1 116/4885SIRT3 222/4885

“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.