SCHEMBL4039418

SCHEMBL4039418

CCOC(=O)c1cncc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.57
CYP2C9 P11712 1/20 0.57
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SYK P43405 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL30581055 0.85 ATM (0.50) CYP2C19CYP2C9CYP1A2CYP3A4ALDH1A1
SCHEMBL29073767 0.85 ATM (0.50) CYP2C19CYP2C9CYP1A2CYP3A4ALDH1A1
SCHEMBL29382818 0.82 CYP2C19 (0.69) CYP2C19CYP2C9CYP1A2CYP3A4ALDH1A1
SCHEMBL28585768 0.82 CYP2C19 (0.69) CYP2C19CYP2C9CYP1A2CYP3A4ALDH1A1
SCHEMBL4041968 0.80 KDM4E (0.43) CYP2C19CYP2C9ALDH1A1KDM4EMEN1
SCHEMBL28333029 0.79 CYP2C19 (0.64) CYP2C19CYP2C9CYP1A2CYP3A4ALDH1A1
SCHEMBL15932924 0.79 HCAR2 (0.43) CYP2C19CYP2C9ALDH1A1KDM4EMEN1
SCHEMBL277284 0.76 CYP2C19 (0.86) CYP2C19CYP2C9CYP1A2CYP3A4ALDH1A1
SCHEMBL6059549 0.76 SYK (0.44) CYP2C19CYP2C9ALDH1A1KMT2ASYK
SCHEMBL17512481 0.76 SYK (0.38) CYP2C19CYP2C9ALDH1A1KDM4ENPC1

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 CYP2C19 505/4885CYP2C9 492/4885CYP1A2 1660/4885

“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.