SCHEMBL6078754

SCHEMBL6078754

CCOC(=O)C12CN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC(=O)N1CC1(CCN(C(=O)OCc3ccccc3)CC1)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.42
ATXN2 Q99700 3/20 0.42
APP P05067 3/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
F13A1 P00488 1/20 0.40
TGM2 P21980 1/20 0.40
TGM1 P22735 1/20 0.40
F10 P00742 4/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 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
SCHEMBL6079043 0.92 ENPP2 (0.45) ENPP2ATXN2APPALDH1A1SMN1; SMN2
SCHEMBL6079539 0.88 ENPP2 (0.43) ENPP2ATXN2APPALDH1A1SMN1; SMN2
SCHEMBL6078877 0.88 ENPP2 (0.41) ENPP2ATXN2APPALDH1A1SMN1; SMN2
SCHEMBL7261681 0.87 TGM2 (0.45) ENPP2ATXN2APPSMN1; SMN2F13A1
SCHEMBL6079441 0.86 ENPP2 (0.46) ENPP2ATXN2APPALDH1A1SMN1; SMN2
SCHEMBL6078661 0.85 ATXN2 (0.41) ENPP2ATXN2APPALDH1A1SMN1; SMN2
SCHEMBL6079290 0.84 ENPP2 (0.42) ENPP2ATXN2APPALDH1A1SMN1; SMN2
SCHEMBL6079778 0.84 F10 (0.43) ALDH1A1SMN1; SMN2KDM4EHTTF10
SCHEMBL6078325 0.82 F10 (0.59) F10
SCHEMBL6079877 0.80 F10 (0.50) ALDH1A1SMN1; SMN2KDM4EF10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122662-B2 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-10-17 US disclosed
US-20050148769-A1 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. 2005-07-07 US disclosed
US-6858599-B2 Inhibitor for activated blood coagulation factor X MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-02-22 US disclosed
EP-1191028-B1 TRICYCLIC COMPOUNDS HAVING SPIRO UNION MOCHIDA PHARM CO LTD (JP) 2004-11-03 EP disclosed
US-20040063716-A1 Cholesterol biosynthesis inhibitors containing as the active ingredient tricyclic spiro compounds MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
US-20030045520-A1 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 US disclosed
EP-1191028-A1 TRICYCLIC COMPOUNDS HAVING SPIRO UNION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-03-27 EP 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-20040063716-A1 Cholesterol biosynthesis inhibitors containing as the active ingredient tricyclic spiro compounds VKORC1, CYP46A1, TFPI ENPP2 1424/4885ATXN2 3658/4885APP 2608/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 ENPP2 268/4885ATXN2 2040/4885APP 4247/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 ENPP2 171/4885ATXN2 2221/4885APP 4142/4885

“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.