SCHEMBL1477578

SCHEMBL1477578

CCOC(=O)C1[C@@H]2Cc3ccccc3[C@@H]12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.43
KDM1A O60341 4/20 0.41
ATM Q13315 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
NR1D1 P20393 1/20 0.39

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
SCHEMBL30280677 1.00 TSHR (0.50) TSHRCYP1A2CYP2C19KDM4EKDM1A
SCHEMBL1477389 1.00 TSHR (0.50) TSHRCYP1A2CYP2C19KDM4EKDM1A
SCHEMBL22209851 1.00 TSHR (0.50) TSHRCYP1A2CYP2C19KDM4EKDM1A
SCHEMBL12749371 1.00 TSHR (0.50) TSHRCYP1A2CYP2C19KDM4EKDM1A
SCHEMBL23020647 0.86 CYP1A2 (0.48) TSHRCYP1A2CYP2C19KDM4EATM
SCHEMBL12749374 0.86 CYP1A2 (0.48) TSHRCYP1A2CYP2C19KDM4EATM
SCHEMBL1477579 0.86 CYP1A2 (0.48) TSHRCYP1A2CYP2C19KDM4EATM
SCHEMBL13591320 0.86 CYP1A2 (0.48) TSHRCYP1A2CYP2C19KDM4EATM
SCHEMBL4467918 0.86 CYP1A2 (0.48) TSHRCYP1A2CYP2C19KDM4EATM
SCHEMBL12749381 0.83 HPGD (0.49) TSHRCYP1A2CYP2C19KDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915295-B2 Viricides; HIV antivirals effective against problematic drug escape mutants; N-[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-N'-[5-(4-(sulfonamido)phenoxy)-2-pyridinyl]urea MEDIVIR AB (SE) 2011-03-29 US disclosed
EP-1701942-B1 NON-NUCLEOTIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2009-12-09 EP disclosed
US-7517992-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2009-04-14 US disclosed
US-20080070951-A1 Non-Nucleotide Reverse Transcriptase Inhibitors MEDIVIR AB (SE) 2008-03-20 US disclosed
EP-1701942-A1 NON-NUCLEOTIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2006-09-20 EP disclosed
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2006-07-27 US disclosed
WO-2005066131-A1 NON-NUCLEOTIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2005-07-21 WO disclosed
US-6610714-B2 HIV viricides MEDIVIR AB (SE) 2003-08-26 US disclosed
US-20030092743-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2003-05-15 US 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 (3 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-20030092743-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS SUB1, HCFC1, CCR1 TSHR 2282/4885CYP1A2 1007/4885CYP2C19 1460/4885
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors POLR2H, POLR2E, POLR1E TSHR 1578/4885CYP1A2 1896/4885CYP2C19 1753/4885
US-20080070951-A1 Non-Nucleotide Reverse Transcriptase Inhibitors RCOR1, RRM2, POLR1A TSHR 367/4885CYP1A2 1035/4885CYP2C19 998/4885

“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.