SCHEMBL4040622

SCHEMBL4040622

CCOC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ SYK P43405 1/20 0.38
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ IGF1R P08069 1/20 0.33
▸ PAX8 Q06710 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
SCHEMBL27506246 0.81 PAX8 (0.36) ALDH1A1LMNAKMT2APAX8
SCHEMBL3108926 0.81 CYP1A2 (0.57) CYP1A2NFKB1NFKB2RELAGAA
SCHEMBL17984648 0.80 CYP1A2 (0.50) CYP1A2GAACA12CA1CA2
SCHEMBL4039230 0.80 PAX8 (0.35) PAX8
SCHEMBL5642066 0.76 CYP1A2 (0.64) CYP1A2GAACA12CA1CA2
SCHEMBL29859711 0.76 TARBP2 (0.38) CYP1A2SYKNFKB1NFKB2RELA
SCHEMBL29598178 0.76 TARBP2 (0.38) CYP1A2SYKNFKB1NFKB2RELA
SCHEMBL3484770 0.75 KMT2A (0.50) SYKGAALMNATSHRKMT2A
SCHEMBL31709504 0.75 PAX8 (0.37) LMNAKMT2APAX8NPC1RAB9A
SCHEMBL12675260 0.75 PAX8 (0.37) LMNAKMT2APAX8

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 CYP1A2 1660/4885SYK 3938/4885NFKB1 2089/4885

“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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