SCHEMBL2397611

SCHEMBL2397611

CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)c(OC(C)=O)c(OC)c3)c(=O)n2C1c1ccccc1Cl

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 3/20 0.82
DUSP3 P51452 3/20 0.82
PTPN12 Q05209 2/20 0.82
PTPN22 Q9Y2R2 2/20 0.82
DUSP6 Q16828 1/20 0.76
MAPT P10636 2/20 0.62
LMNA P02545 1/20 0.62
MEN1 O00255 9/20 0.61
KMT2A Q03164 9/20 0.61
ALDH1A1 P00352 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HTT P42858 1/20 0.60
CTDSP1 Q9GZU7 2/20 0.59
BLM P54132 1/20 0.57
PTGES O14684 1/20 0.57
BRCA1 P38398 1/20 0.56
PSMD14 O00487 1/20 0.56
DNMT1 P26358 1/20 0.56
CSNK2A2 P19784 1/20 0.55
CSNK2B P67870 1/20 0.55

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
SCHEMBL2398377 0.90 PTPN7 (1.00) PTPN7DUSP3PTPN12PTPN22DUSP6
SCHEMBL2397608 0.90 PTPN7 (1.00) PTPN7DUSP3PTPN12PTPN22DUSP6
SCHEMBL4669327 0.86 MEN1 (0.69) PTPN7DUSP3PTPN12PTPN22DUSP6
SCHEMBL4669325 0.86 MEN1 (0.69) PTPN7DUSP3PTPN12PTPN22DUSP6
SCHEMBL12267452 0.84 PTPN7 (0.90) PTPN7DUSP3PTPN12PTPN22DUSP6
SCHEMBL13855965 0.81 ALDH1A1 (0.76) PTPN7DUSP3PTPN12PTPN22DUSP6
SCHEMBL13855903 0.80 DUSP3 (0.65) PTPN7DUSP3PTPN12PTPN22DUSP6
SCHEMBL4670262 0.77 ALDH1A1 (0.84) PTPN7DUSP3PTPN22DUSP6MAPT
SCHEMBL4670263 0.77 ALDH1A1 (0.84) PTPN7DUSP3PTPN22DUSP6MAPT
SCHEMBL4669378 0.77 ALDH1A1 (0.81) PTPN7DUSP3PTPN12PTPN22DUSP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9091678-B2 Method for identifying compounds useful for treating and/or preventing disease-associated bone loss CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-07-28 US disclosed
US-20110212974-A1 METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASE-ASSOCIATED BONE LOSS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2011-09-01 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 (1 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-20110212974-A1 METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASE-ASSOCIATED BONE LOSS DOCK5, ARHGDIB, ARHGDIA PTPN7 3264/4885DUSP3 611/4885PTPN12 3921/4885

“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.