SCHEMBL5857

SCHEMBL5857

CC(C)(C)OC(=O)Nc1ccc(CCC(C)(C(=O)O)S(C)(=O)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.49
SLC6A2 P23975 1/20 0.49
MMP12 P39900 1/20 0.49
MMP13 P45452 1/20 0.49
DRD2 P14416 1/20 0.47
GLS O94925 1/20 0.46

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
SCHEMBL12528285 0.84 CYP17A1 (0.53) CYP17A1DRD2GLS
SCHEMBL7390375 0.82 CYP17A1 (0.57) CYP17A1DRD2GLS
SCHEMBL3127225 0.79 CYP17A1 (0.57) CYP17A1DRD2GLS
SCHEMBL7042995 0.79 DRD2 (0.59) CYP17A1DRD2GLS
SCHEMBL27167710 0.79 CYP17A1 (0.51) CYP17A1MMP13DRD2GLS
SCHEMBL1000732 0.78 NR1H4 (0.58) CYP17A1DRD2GLS
SCHEMBL10999 0.78 SLC6A2 (0.58) SLC6A2MMP12MMP13
SCHEMBL16246084 0.78 CYP17A1 (0.58) CYP17A1DRD2GLS
SCHEMBL5656 0.78 SLC6A2 (0.58) SLC6A2MMP12MMP13
SCHEMBL10867 0.78 SLC6A2 (0.58) SLC6A2MMP12MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-12-11 US disclosed
US-8853258-B2 C-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-10-07 US disclosed
EP-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 EP disclosed
US-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents BROWN MATTHEW FRANK (US) 2012-08-09 US disclosed
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 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 (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-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents HAX1, LPXN, AGXT CYP17A1 3070/4885SLC6A2 4624/4885MMP12 482/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A CYP17A1 4014/4885SLC6A2 4292/4885MMP12 138/4885

“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.