SCHEMBL4037522

SCHEMBL4037522

COc1cc(C(=O)O)cnc1N(OC(C)(C)C)C(=O)OC(C)(C)C.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
PKM P14618 2/20 0.37
CA3 P07451 1/20 0.37
CA5A P35218 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
TPMT P51580 2/20 0.36
PTGS2 P35354 1/20 0.35
TSHR P16473 2/20 0.35
ALPL P05186 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL4037640 0.81 KDM4E (0.32) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4038616 0.81 XDH (0.38) ALDH1A1
SCHEMBL4046607 0.80 HCAR3 (0.37) TPMTTSHRLMNAMAPK1
SCHEMBL4037516 0.72 PDPK1 (0.34) CA1CA2
SCHEMBL15636943 0.72 KDM4E (0.34) CA12CA1CA2CA4CA6
SCHEMBL28718726 0.71 ALKBH1 (0.35) HTTKDM4EALDH1A1
SCHEMBL4039573 0.71 GAA (0.35) HTTKDM4EALDH1A1LMNAMAPK1
SCHEMBL29612133 0.69 PTGS2 (0.55) HTTCA12CA1CA2CA4
SCHEMBL7652014 0.69 PTGS2 (0.55) HTTCA12CA1CA2CA4
SCHEMBL31132873 0.68 HTR2C (0.39) KDM4EMEN1ALDH1A1KMT2A

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 HTT 242/4885CA12 3356/4885CA1 4500/4885

“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.