SCHEMBL1479951

SCHEMBL1479951

COc1ccc2c(c1)CCC1C(C(=O)O)C21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.56
PPARD Q03181 2/20 0.48
LMNA P02545 4/20 0.47
MAPT P10636 1/20 0.47
HSD17B1 P14061 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ESR1 P03372 2/20 0.47
SLC6A9 P48067 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SRD5A1 P18405 2/20 0.45
CYP11B1 P15538 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43

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
SCHEMBL1477381 0.89 CYP19A1 (0.56) CYP19A1CYP11B1MTNR1AMTNR1B
SCHEMBL13222722 0.86 EDNRA (0.47) CYP19A1PPARDMTNR1AMTNR1B
SCHEMBL1477790 0.83 CYP19A1 (0.51) CYP19A1PPARDLMNAMAPTHSD17B1
SCHEMBL1844946 0.80 PPARD (0.52) CYP19A1PPARDLMNAMAPTHSD17B1
SCHEMBL15157394 0.79 LMNA (0.52) CYP19A1PPARDLMNAMAPTHSD17B1
SCHEMBL8409809 0.79 SLC6A9 (0.50) CYP19A1PPARDLMNAMAPTHSD17B1
SCHEMBL909405 0.79 PPARD (0.49) CYP19A1PPARDLMNAMAPTHSD17B1
SCHEMBL9195478 0.78 PPARD (0.48) CYP19A1PPARDLMNAMAPTHSD17B1
SCHEMBL1400671 0.75 PPARG (0.53) CYP19A1PPARDLMNAMAPTHSD17B1
SCHEMBL1400327 0.75 PPARG (0.53) CYP19A1PPARDLMNAMAPTHSD17B1

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
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
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-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
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
EP-1534276-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2005-06-01 EP disclosed
EP-1423368-A1 UREA AND THIOUREA DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2004-06-02 EP disclosed
WO-2004021969-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2004-03-18 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
WO-2003020705-A1 UREA AND THIOUREA DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2003-03-13 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 (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 CYP19A1 3312/4885PPARD 4473/4885LMNA 1859/4885
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors POLR2H, POLR2E, POLR1E CYP19A1 2152/4885PPARD 3547/4885LMNA 3036/4885
US-20080070951-A1 Non-Nucleotide Reverse Transcriptase Inhibitors RCOR1, RRM2, POLR1A CYP19A1 807/4885PPARD 2399/4885LMNA 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.