SCHEMBL669133

SCHEMBL669133

CC(C)(C)OC(=O)NCC(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
HPGD P15428 1/20 0.45
AURKB Q96GD4 3/20 0.44
EGFR P00533 2/20 0.44

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
SCHEMBL8693590 0.91 CA1 (0.54) PTPN11CA1CA2MEN1KMT2A
SCHEMBL661882 0.89 MEN1 (0.62) CA1CA2MEN1KMT2AMAPT
SCHEMBL25733667 0.89 MEN1 (0.54) PTPN11CA1CA2MEN1KMT2A
SCHEMBL7955826 0.87 CA1 (0.50) PTPN11CA1CA2MEN1KMT2A
SCHEMBL6635582 0.87 NPFFR1 (0.52) PTPN11CA1CA2MEN1KMT2A
SCHEMBL12621211 0.86 MEN1 (0.44) PTPN11MEN1KMT2AHDAC3HDAC1
SCHEMBL14679376 0.85 POLB (0.54) PTPN11CA1CA2MEN1KMT2A
SCHEMBL10850707 0.85 CA1 (0.50) PTPN11CA1CA2MEN1KMT2A
SCHEMBL10845806 0.85 POLB (0.53) PTPN11CA1CA2MEN1KMT2A
SCHEMBL23099730 0.85 HDAC3 (0.47) PTPN11CA1CA2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636298-B2 Prodrugs of compounds that enhance antifungal activity and compositions of said prodrugs METHYLGENE INC (CA) 2017-05-02 US disclosed
US-9636298-B2 Prodrugs of compounds that enhance antifungal activity and compositions of said prodrugs METHYLGENE INC (CA) 2017-05-02 US disclosed
US-9636298-B2 Prodrugs of compounds that enhance antifungal activity and compositions of said prodrugs METHYLGENE INC (CA) 2017-05-02 US disclosed
US-20150203517-A1 Prodrugs of Compounds that Enhance Antifungal Activity and Compositions of Said Prodrugs METHYLGENE INC (CA) 2015-07-23 US disclosed
US-20150203517-A1 Prodrugs of Compounds that Enhance Antifungal Activity and Compositions of Said Prodrugs METHYLGENE INC (CA) 2015-07-23 US disclosed
US-20150203517-A1 Prodrugs of Compounds that Enhance Antifungal Activity and Compositions of Said Prodrugs METHYLGENE INC (CA) 2015-07-23 US disclosed
WO-2014125075-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2014-08-21 WO disclosed
WO-2012022707-A1 SUBSTITUTED HETEROARYL SPIROPYRROLIDINE MDM2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-23 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-20150203517-A1 Prodrugs of Compounds that Enhance Antifungal Activity and Compositions of Said Prodrugs HDAC5, HDAC1, HDAC3 PTPN11 4035/4885CA1 379/4885CA2 483/4885

“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.