SCHEMBL13465348

SCHEMBL13465348

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 1/20 0.56
▸ CA1 P00915 3/20 0.55
▸ CA2 P00918 3/20 0.55
▸ HDAC4 P56524 3/20 0.53
▸ HDAC1 Q13547 3/20 0.53
▸ HDAC3 O15379 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ HDAC10 Q969S8 1/20 0.52
▸ HDAC11 Q96DB2 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ HDAC9 Q9UKV0 1/20 0.52
▸ HDAC5 Q9UQL6 1/20 0.52
▸ SIRT1 Q96EB6 7/20 0.51
▸ MAPT P10636 5/20 0.49
▸ TDP1 Q9NUW8 5/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.49
▸ SIRT2 Q8IXJ6 6/20 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
SCHEMBL16909029 1.00 SIRT5 (0.56) SIRT5CA1CA2HDAC4HDAC1
SCHEMBL14378788 0.91 CA1 (0.59) SIRT5CA1CA2HDAC4HDAC1
SCHEMBL20547584 0.90 CA1 (0.55) SIRT5CA1CA2HDAC4HDAC1
SCHEMBL20547582 0.90 CA1 (0.55) SIRT5CA1CA2HDAC4HDAC1
SCHEMBL6350473 0.88 HDAC4 (0.54) SIRT5CA1CA2HDAC4HDAC1
SCHEMBL13827396 0.82 CA1 (0.57) SIRT5CA1CA2HDAC4HDAC1
SCHEMBL18113427 0.81 SIRT5 (0.46) SIRT5CA1CA2HDAC4HDAC1
SCHEMBL14153936 0.81 CA1 (0.45) SIRT5CA1CA2HDAC4HDAC1
SCHEMBL20067639 0.81 CA1 (0.64) SIRT5CA1CA2HDAC4HDAC1
SCHEMBL21012443 0.80 L3MBTL1 (0.49) SIRT5CA1CA2HDAC4HDAC1

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 7 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
US-7683025-B2 Synthesis and self-assembly of ABC triblock bola peptide amphiphiles NORTHWESTERN UNIVERSITY (US) 2010-03-23 — — 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 (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 SIRT5 51/4885CA1 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.

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