SCHEMBL20101589

SCHEMBL20101589

O=C(CCc1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CC[C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)C[C@@H]2CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.42
▸ ATXN2 Q99700 2/20 0.42
▸ DGAT2 Q96PD7 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ ALDH1A1 P00352 7/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MLNR O43193 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL16963324 0.84 ENPP2 (0.55) ENPP2ATXN2DGAT2
SCHEMBL17310878 0.84 ENPP2 (0.55) ENPP2ATXN2DGAT2
SCHEMBL17310877 0.84 ENPP2 (0.55) ENPP2ATXN2DGAT2
SCHEMBL118275 0.83 ENPP2 (0.45) ENPP2ATXN2CNR1HPGDGAA
SCHEMBL16963360 0.82 GPR183 (0.41) ENPP2ATXN2
SCHEMBL16963362 0.82 GPR183 (0.41) ENPP2ATXN2
SCHEMBL21323015 0.82 ENPP2 (0.45) ENPP2ATXN2DGAT2
SCHEMBL21323016 0.82 ENPP2 (0.45) ENPP2ATXN2DGAT2
SCHEMBL22607225 0.82 ENPP2 (0.45) ENPP2ATXN2DGAT2
SCHEMBL16963195 0.82 ENPP2 (0.45) ENPP2ATXN2DGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669268-B2 Bicyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-02 — — US disclosed
US-20180118741-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 — — US disclosed
US-20180118741-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 — — 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 (2 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-10669268-B2 Bicyclic derivatives CCNY, BICRA, UQCRB ENPP2 1716/4885ATXN2 669/4885DGAT2 3583/4885
US-20180118741-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB ENPP2 1981/4885ATXN2 791/4885DGAT2 3525/4885

“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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