SCHEMBL1933394

SCHEMBL1933394

Cc1ccc(S(=O)(=O)n2c(-c3cn(C)c4ccc(C(C)(C)O)cc34)cc3c4c(cnc32)cnn4C)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PCSK9 Q8NBP7 3/20 0.34
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ BRD4 O60885 5/20 0.32
▸ MAP3K5 Q99683 1/20 0.32
▸ RORC P51449 1/20 0.31
▸ PTAFR P25105 1/20 0.30
▸ HTR2B P41595 1/20 0.30
▸ GRM2 Q14416 1/20 0.30
▸ LMNA P02545 2/20 0.30
▸ PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL1932988 0.89 PCSK9 (0.35) PCSK9BRD4LMNAPTGDR2
SCHEMBL2315327 0.87 LMNA (0.43) PCSK9BRD4LMNAPTGDR2
SCHEMBL2319582 0.86 EED (0.39) —
SCHEMBL2319229 0.85 LATS1 (0.35) PCSK9BRD4PTGDR2
SCHEMBL2320144 0.85 PTGS2 (0.33) CYP11B1CYP11B2LMNAPTGDR2
SCHEMBL2318669 0.85 ALDH1A1 (0.35) PCSK9LMNAPTGDR2
SCHEMBL27876385 0.84 CYP11B1 (0.36) CYP11B1CYP11B2MAP3K5PTAFRHTR2B
SCHEMBL16244938 0.82 PTGDR2 (0.42) PCSK9BRD4PTGDR2
SCHEMBL2315168 0.81 EED (0.32) PCSK9BRD4LMNA
SCHEMBL2317234 0.81 SCN9A (0.40) BRD4LMNA

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 12 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — US disclosed
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-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-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
EP-2506713-A1 NOVEL TRICYCLIC COMPOUNDS Abbott Laboratories (US) 2012-10-10 — — EP disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — US disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 — — WO disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 — — WO 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 PCSK9 1419/4885CYP11B1 11/4885CYP11B2 9/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 PCSK9 1419/4885CYP11B1 11/4885CYP11B2 9/4885

“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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