SCHEMBL2316775

SCHEMBL2316775

Cc1ccc(S(=O)(=O)n2c(-c3coc4ccccc34)cc3c4c(cnc32)cnn4C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GSK3B P49841 5/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ ALDH3A1 P30838 2/20 0.33
▸ EED O75530 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ LATS1 O95835 1/20 0.33
▸ NOD1 Q9Y239 2/20 0.32
▸ CXCL8 P10145 1/20 0.32

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
SCHEMBL2314750 0.82 PTGS1 (0.37) GAAALDH1A1PTGDR2ALDH3A1PSEN1
SCHEMBL16244938 0.81 PTGDR2 (0.42) GSK3BPTGDR2LATS1PCSK9L3MBTL1
SCHEMBL2322259 0.80 PTGDR2 (0.39) GAASMN1; SMN2PTGDR2ALDH3A1LATS1
SCHEMBL2317803 0.80 PCSK9 (0.38) GAAALDH1A1PTGDR2ALDH3A1EED
SCHEMBL2319238 0.80 CYP11B1 (0.39) SMN1; SMN2PTGDR2LATS1CYP3A4CYP2C9
SCHEMBL2320310 0.78 LATS1 (0.37) GAAALDH1A1SMN1; SMN2PTGDR2ALDH3A1
SCHEMBL2318455 0.78 PTGDR2 (0.34) ALDH1A1SMN1; SMN2PTGDR2LATS1PCSK9
SCHEMBL4357924 0.77 ACVR1 (0.38) PTGDR2PIK3CANOD2CYP2C9HTT
SCHEMBL2315157 0.77 LMNA (0.37) ALDH1A1PTGDR2ALDH3A1LATS1CYP3A4
SCHEMBL2318104 0.77 PTGDR2 (0.36) GAAALDH1A1PTGDR2ALDH3A1PSEN1

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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 — — US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 GAA 2251/4885ALDH1A1 305/4885SMN1; SMN2 4280/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 GAA 2251/4885ALDH1A1 305/4885SMN1; SMN2 4280/4885

“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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