SCHEMBL22957147

SCHEMBL22957147

CS(=O)(=O)c1cc(Cl)cc(COC(=O)C2C[C@@H]3CN(C(=O)c4ccc(S(N)(=O)=O)cc4)C[C@H]3C2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATXN2 Q99700 6/20 0.61
▸ ENPP2 Q13822 5/20 0.61
▸ CA2 P00918 12/20 0.47
▸ CA1 P00915 11/20 0.47
▸ CA9 Q16790 11/20 0.47
▸ CA12 O43570 9/20 0.47
▸ CA7 P43166 4/20 0.43
▸ CA14 Q9ULX7 4/20 0.43
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ CA4 P22748 2/20 0.39
▸ ATM Q13315 1/20 0.39

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
SCHEMBL16052911 0.88 ENPP2 (0.72) ATXN2ENPP2CA2CA1CA9
SCHEMBL21485424 0.80 ENPP2 (0.60) ATXN2ENPP2CA2CA1CA9
SCHEMBL16053213 0.80 ENPP2 (0.60) ATXN2ENPP2CA2CA1CA9
SCHEMBL16053211 0.80 ENPP2 (0.60) ATXN2ENPP2CA2CA1CA9
SCHEMBL16053349 0.77 ENPP2 (0.59) ATXN2ENPP2CA2CA1CA9
SCHEMBL16081629 0.77 ENPP2 (0.59) ATXN2ENPP2CA2CA1CA9
SCHEMBL22957149 0.77 ENPP2 (0.59) ATXN2ENPP2CA2CA1CA9
SCHEMBL16053350 0.77 ENPP2 (0.59) ATXN2ENPP2CA2CA1CA9
SCHEMBL15541183 0.76 ATXN2 (1.00) ATXN2ENPP2
SCHEMBL16052913 0.76 ENPP2 (0.62) ATXN2ENPP2CA2CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913745-B2 Octahydro-pyrrolo[3,4-c]-pyrrole derivatives and analogs thereof as autotaxin inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-02-09 — — 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-10913745-B2 Octahydro-pyrrolo[3,4-c]-pyrrole derivatives and analogs thereof as autotaxin inhibitors ENPP2, TPX2, PRAP1 ATXN2 233/4885ENPP2 1/4885CA2 2616/4885

“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.

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