SCHEMBL2315531

SCHEMBL2315531

C[Si](C)(C)CCOCn1c(-c2cccc(S(C)(=O)=O)c2)cc2c1ncc1cnc(C(F)(F)F)n12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.35
KCNH2 Q12809 3/20 0.35
NR1H3 Q13133 14/20 0.35
NR1H2 P55055 13/20 0.35
RXRA P19793 3/20 0.35
LOXL2 Q9Y4K0 1/20 0.33
PIK3CA P42336 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
SCHEMBL2315228 0.88 KCNH2 (0.37) DGAT1KCNH2NR1H3NR1H2LOXL2
SCHEMBL2316599 0.82 NAMPT (0.32) KCNH2NR1H3NR1H2
SCHEMBL2320132 0.80 PIK3CB (0.38) DGAT1KCNH2LOXL2
SCHEMBL2319988 0.80 KCNH2 (0.35) KCNH2NR1H2
SCHEMBL2317935 0.79 PRKDC (0.40) KCNH2NR1H2
SCHEMBL2316450 0.76 JAK2 (0.36) DGAT1KCNH2
SCHEMBL2317057 0.70 MAPT (0.35) DGAT1
SCHEMBL2319842 0.69 SYK (0.40) KCNH2NR1H3NR1H2RXRALOXL2
SCHEMBL2315378 0.69 TDP1 (0.36) DGAT1
SCHEMBL2317105 0.69 CHEK1 (0.34) DGAT1

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 DGAT1 2419/4885KCNH2 738/4885NR1H3 698/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 DGAT1 2419/4885KCNH2 738/4885NR1H3 698/4885

“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.