SCHEMBL1477611

SCHEMBL1477611

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL1477700 1.00 HSP90AB1 (0.33) HSP90AB1ATMALDH1A1POLBMAPT
SCHEMBL12828064 1.00 HSP90AB1 (0.33) HSP90AB1ATMALDH1A1POLBMAPT
SCHEMBL1477608 1.00 HSP90AB1 (0.33) HSP90AB1ATMALDH1A1POLBMAPT
SCHEMBL1477610 1.00 HSP90AB1 (0.33) HSP90AB1ATMALDH1A1POLBMAPT
SCHEMBL12749262 1.00 HSP90AB1 (0.33) HSP90AB1ATMALDH1A1POLBMAPT
SCHEMBL1478169 0.86 GAA (0.36) ALDH1A1POLBMAPTKDM4E
SCHEMBL12749257 0.86 GAA (0.36) ALDH1A1POLBMAPTKDM4E
SCHEMBL1477813 0.86 MAPK1 (0.33) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12749270 0.86 MAPK1 (0.33) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1478158 0.77 RXFP1 (0.32) HSP90AB1

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 12 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
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 HSP90AB1 3147/4885ATM 3939/4885ALDH1A1 735/4885
US-20030069224-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, NAT10, NSUN2 HSP90AB1 3587/4885ATM 4663/4885ALDH1A1 1540/4885
US-20030187266-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, NAT10, NSUN2 HSP90AB1 3587/4885ATM 4663/4885ALDH1A1 1540/4885
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors POLR2H, POLR2E, POLR1E HSP90AB1 3384/4885ATM 4576/4885ALDH1A1 2705/4885
US-20080070951-A1 Non-Nucleotide Reverse Transcriptase Inhibitors RCOR1, RRM2, POLR1A HSP90AB1 4838/4885ATM 4389/4885ALDH1A1 2075/4885

“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.