SCHEMBL6138784

SCHEMBL6138784

COC(C)(C)ONC(=O)CCCC[C@@H](O)c1ccc(C#Cc2ccc(SC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.41
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC4 P56524 1/20 0.31
MEF2D Q14814 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
KCNH2 Q12809 1/20 0.31
PTGER2 P43116 2/20 0.30
PTGER4 P35408 1/20 0.30
PTGER3 P43115 1/20 0.30
MAPT P10636 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL6138387 0.91 MMP13 (0.36) HDAC1HDAC8HDAC4MEF2DPTGER2
SCHEMBL6138557 0.81 HDAC1 (0.49) ACACBHDAC1HDAC8HDAC4
SCHEMBL6138967 0.81 HDAC1 (0.49) ACACBHDAC1HDAC8HDAC4
SCHEMBL6138716 0.80 HDAC1 (0.38) HDAC1HDAC8HDAC4CYP3A4CYP2C9
SCHEMBL6138502 0.78 GAA (0.39) HDAC1HDAC8HDAC4PTGER2
SCHEMBL6138465 0.74 HDAC1 (0.35) HDAC1HDAC8PTGER2
SCHEMBL6138439 0.73 HRH3 (0.40) HDAC1HDAC8PTGER2PTGER4PTGER3
SCHEMBL6138399 0.70 HDAC1 (0.52) HDAC1HDAC8HDAC4
SCHEMBL6139117 0.70 PTGER2 (0.45) PTGER2PTGER4PTGER3
SCHEMBL6138735 0.70 HDAC1 (0.52) HDAC1HDAC8HDAC4

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
EP-1215203-B1 HYDROXAMIC ACID DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2005-02-16 EP claimed
US-20040214896-A1 Hydroxamic acid derivatives, the methods for preparation thereof and pharmaceutical compositions comprising thereof, as an active ingredient ONO PHARMACEUTICAL CO., LTD. 2004-10-28 US claimed
EP-1215203-A1 HYDROXAMIC ACID DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-06-19 EP claimed
EP-1215203-B1 HYDROXAMIC ACID DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2005-02-16 EP disclosed
US-20040214896-A1 Hydroxamic acid derivatives, the methods for preparation thereof and pharmaceutical compositions comprising thereof, as an active ingredient ONO PHARMACEUTICAL CO., LTD. 2004-10-28 US disclosed
US-6770644-B1 Hydroxamic acid derivatives, process for the production thereof and drug containing the same as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2004-08-03 US disclosed
EP-1215203-A1 HYDROXAMIC ACID DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-06-19 EP 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-20040214896-A1 Hydroxamic acid derivatives, the methods for preparation thereof and pharmaceutical compositions comprising thereof, as an active ingredient HIF1AN, IL6, PYGM ACACB 2284/4885HDAC1 942/4885HDAC8 1134/4885

“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.