SCHEMBL1477813

SCHEMBL1477813

CC(=O)c1ccc2c(c1O)C1C(CO2)C1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
DRD2 P14416 2/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL12749270 1.00 MAPK1 (0.33) MAPK1KDM4ELMNADRD2TSHR
SCHEMBL12828064 0.86 HSP90AB1 (0.33) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1477610 0.86 HSP90AB1 (0.33) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1477608 0.86 HSP90AB1 (0.33) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1477700 0.86 HSP90AB1 (0.33) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL12749262 0.86 HSP90AB1 (0.33) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1477611 0.86 HSP90AB1 (0.33) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1477137 0.83 ALDH1A1 (0.34) DRD2TSHRSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL12749269 0.83 ALDH1A1 (0.34) DRD2TSHRSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL24992266 0.77 KDM4E (0.36) MAPK1KDM4ELMNADRD2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373261-B1 CYCLOPROPAHETEROCYCLES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2011-05-04 EP disclosed
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-7405310-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2008-07-29 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
US-20050240035-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2005-10-27 US disclosed
WO-2005066131-A1 NON-NUCLEOTIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2005-07-21 WO disclosed
EP-1534276-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2005-06-01 EP disclosed
US-6894177-B2 Intermediate compounds of non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2005-05-17 US disclosed
US-6716850-B2 ESPECIALLY N-(NITROGEN HETEROAR-2-YL)-SUBSTITUTED TETRAHYDROCYCLOPROPA(C)CHROMEN-1-UREAS AND THIOUREAS; TREATING HIV-1, PARTICULARLY A DRUG ESCAPE MUTANT. MEDIVIR AB (SE) 2004-04-06 US disclosed
WO-2004021969-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2004-03-18 WO disclosed
EP-1373261-A2 CYCLOPROPAHETEROCYCLES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2004-01-02 EP disclosed
US-20030187266-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2003-10-02 US disclosed
US-20030069224-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2003-04-10 US disclosed
WO-2002070516-A2 CYCLOPROPAHETEROCYCLES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2002-09-12 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 (5 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-20050240035-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, TYMP, PNP MAPK1 2972/4885KDM4E 1234/4885LMNA 2648/4885
US-20030069224-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, NAT10, NSUN2 MAPK1 1212/4885KDM4E 1049/4885LMNA 1125/4885
US-20030187266-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, NAT10, NSUN2 MAPK1 1212/4885KDM4E 1049/4885LMNA 1125/4885
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors POLR2H, POLR2E, POLR1E MAPK1 2791/4885KDM4E 2439/4885LMNA 3036/4885
US-20080070951-A1 Non-Nucleotide Reverse Transcriptase Inhibitors RCOR1, RRM2, POLR1A MAPK1 2982/4885KDM4E 2551/4885LMNA 1547/4885

“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.