SCHEMBL1477868

SCHEMBL1477868

O=C(O)C1C2COc3ccccc3C21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
SSTR4 P31391 1/20 0.41
EDNRA P25101 3/20 0.41
EDNRB P24530 2/20 0.41
HTR2B P41595 1/20 0.40
LTA4H P09960 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
HTT P42858 1/20 0.39
GRM2 Q14416 2/20 0.38
GRM3 Q14832 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM8 O00222 1/20 0.38
GRM5 P41594 1/20 0.38
GRM1 Q13255 1/20 0.38
GRM7 Q14831 1/20 0.38
GRM4 Q14833 1/20 0.38
HCRTR2 O43614 1/20 0.37

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
SCHEMBL13591292 1.00 LTB4R (0.42) LTB4RLTB4R2SSTR4EDNRAEDNRB
SCHEMBL1477866 1.00 LTB4R (0.42) LTB4RLTB4R2SSTR4EDNRAEDNRB
SCHEMBL1477864 1.00 LTB4R (0.42) LTB4RLTB4R2SSTR4EDNRAEDNRB
SCHEMBL12749247 1.00 LTB4R (0.42) LTB4RLTB4R2SSTR4EDNRAEDNRB
SCHEMBL12749158 0.83 SSTR4 (0.44) SSTR4HTR2BHTTHCRTR2PSMB5
SCHEMBL12749289 0.78 GRM7 (0.44) GRM7HCRTR2LMNADRD2DRD3
SCHEMBL30280553 0.78 GRM7 (0.44) GRM7HCRTR2LMNADRD2DRD3
SCHEMBL1476967 0.78 GRM7 (0.44) GRM7HCRTR2LMNADRD2DRD3
SCHEMBL1476970 0.78 GRM7 (0.44) GRM7HCRTR2LMNADRD2DRD3
SCHEMBL1476969 0.78 GRM7 (0.44) GRM7HCRTR2LMNADRD2DRD3

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 20 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
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
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-7517992-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2009-04-14 US 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-7405310-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2008-07-29 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
US-20080070951-A1 Non-Nucleotide Reverse Transcriptase Inhibitors MEDIVIR AB (SE) 2008-03-20 US disclosed
US-20080070951-A1 Non-Nucleotide Reverse Transcriptase Inhibitors MEDIVIR AB (SE) 2008-03-20 US 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
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
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

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 LTB4R 2149/4885LTB4R2 2981/4885SSTR4 4847/4885
US-20030069224-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, NAT10, NSUN2 LTB4R 3714/4885LTB4R2 4190/4885SSTR4 4006/4885
US-20030187266-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, NAT10, NSUN2 LTB4R 3714/4885LTB4R2 4190/4885SSTR4 4006/4885
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors POLR2H, POLR2E, POLR1E LTB4R 3458/4885LTB4R2 3733/4885SSTR4 3836/4885
US-20080070951-A1 Non-Nucleotide Reverse Transcriptase Inhibitors RCOR1, RRM2, POLR1A LTB4R 1261/4885LTB4R2 2501/4885SSTR4 2815/4885

“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.