Sugi Predict

Sugi Predict / Compounds / SCHEMBL1476534

SCHEMBL1476534

SCHEMBL1476534

CCOC(=O)C1C2CCc3cc(C#N)ccc3C21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 3/20 0.40
▸ PPARA Q07869 3/20 0.40
▸ AKR1C3 P42330 1/20 0.38
▸ LRRK2 Q5S007 2/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36

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
SCHEMBL1476999 0.88 PDCD1 (0.39) HSD11B1CYP1A2GRM5PDCD1CD274
SCHEMBL1477000 0.88 PDCD1 (0.39) HSD11B1CYP1A2GRM5PDCD1CD274
SCHEMBL13895547 0.88 PDCD1 (0.39) HSD11B1CYP1A2GRM5PDCD1CD274
SCHEMBL1478201 0.84 GABRA1 (0.39) PPARDCYP1A2GRM5CYP4F2CYP4A11
SCHEMBL1477996 0.81 PPARD (0.43) PPARDPPARAAKR1C3LRRK2HSD11B1
SCHEMBL1477790 0.81 CYP19A1 (0.51) PPARDKDM4EMEN1ALDH1A1KMT2A
SCHEMBL23020647 0.79 CYP1A2 (0.48) CYP1A2KDM4EALDH1A1CYP11B2FFAR1
SCHEMBL1477579 0.79 CYP1A2 (0.48) CYP1A2KDM4EALDH1A1CYP11B2FFAR1
SCHEMBL12749374 0.79 CYP1A2 (0.48) CYP1A2KDM4EALDH1A1CYP11B2FFAR1
SCHEMBL13591320 0.79 CYP1A2 (0.48) CYP1A2KDM4EALDH1A1CYP11B2FFAR1

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 19 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
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 PPARD 4473/4885PPARA 4555/4885AKR1C3 355/4885
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors POLR2H, POLR2E, POLR1E PPARD 3547/4885PPARA 4340/4885AKR1C3 770/4885
US-20080070951-A1 Non-Nucleotide Reverse Transcriptase Inhibitors RCOR1, RRM2, POLR1A PPARD 2399/4885PPARA 3009/4885AKR1C3 196/4885

“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.