SCHEMBL4046607

SCHEMBL4046607

CC(C)(C)OC(=O)N(OC(C)(C)C)c1ncc(C(=O)O)cc1[N+](=O)[O-].[NaH]

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 7/20 0.37
TSHR P16473 2/20 0.36
TPMT P51580 1/20 0.36
CASP6 P55212 1/20 0.36
MET P08581 2/20 0.35
LMNA P02545 1/20 0.34
APEX1 P27695 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL4037522 0.80 HTT (0.38) TSHRTPMTLMNAMAPK1
SCHEMBL4038616 0.78 XDH (0.38)
SCHEMBL4046605 0.75 MET (0.37) HCAR3TSHRTPMTMETPOLB
SCHEMBL28411101 0.75 HCAR3 (0.40) HCAR3TSHRTPMTCASP6MET
SCHEMBL4037640 0.74 KDM4E (0.32)
SCHEMBL30792849 0.71 HCAR3 (0.58) HCAR3TSHRCASP6LMNAAPEX1
SCHEMBL27191011 0.71 HCAR3 (0.58) HCAR3TSHRCASP6LMNAAPEX1
SCHEMBL26310184 0.70 AAK1 (0.37) METLMNAMAPT
SCHEMBL14060781 0.69 TPMT (0.54) HCAR3TSHRTPMTCASP6LMNA
SCHEMBL18785419 0.67 TSHR (0.45) HCAR3TSHRTPMTCASP6MET

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
EP-1268443-B1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2009-07-29 EP disclosed
US-6972297-B2 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM P.L.C. (GB) 2005-12-06 US disclosed
US-20030114674-A1 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-19 US disclosed
EP-1268443-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SmithKline Beecham p.l.c. (GB) 2003-01-02 EP disclosed
WO-2001074788-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2001-10-11 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-20030114674-A1 2-Hydroxy-mutilin carbamate derivatives for antibacterial use MSH6, MSH2, PMS2 HCAR3 940/4885TSHR 3000/4885TPMT 761/4885

“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.