SCHEMBL6079043

SCHEMBL6079043

O=C(OCc1ccccc1)N1CCC2(CC1)CN1C(=O)CN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1(C(=O)O)O2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.45
ATXN2 Q99700 4/20 0.45
F10 P00742 4/20 0.41
TGM2 P21980 8/20 0.40
F13A1 P00488 7/20 0.40
TGM1 P22735 7/20 0.40
TGM3 Q08188 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APP P05067 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
SCHEMBL6078754 0.92 ENPP2 (0.42) ENPP2ATXN2F10TGM2F13A1
SCHEMBL6079539 0.89 ENPP2 (0.43) ENPP2ATXN2F10TGM2F13A1
SCHEMBL6079441 0.89 ENPP2 (0.46) ENPP2ATXN2F10TGM2F13A1
SCHEMBL6079290 0.87 ENPP2 (0.42) ENPP2ATXN2F10TGM2F13A1
SCHEMBL7261993 0.86 TGM2 (0.42) ENPP2ATXN2TGM2F13A1TGM1
SCHEMBL6078661 0.86 ATXN2 (0.41) ENPP2ATXN2F10TGM2F13A1
SCHEMBL6078877 0.85 ENPP2 (0.41) ENPP2ATXN2F10TGM2F13A1
SCHEMBL6078472 0.79 F10 (0.61) F10SMN1; SMN2
SCHEMBL6078643 0.79 F10 (0.41) F10MEN1KMT2ANPSR1KDM4E
Ammonia Solution, Strong SCHEMBL6078519 0.79 F10 (0.61) F10SMN1; SMN2

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 3658/4885F10 23/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 ENPP2 268/4885ATXN2 2040/4885F10 7/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 ENPP2 171/4885ATXN2 2221/4885F10 7/4885

“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.