SCHEMBL10175172

SCHEMBL10175172

CC(C)c1ccc(OCCCC(F)(F)F)nc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
MGAT2 Q10469 8/20 0.38
EPHX2 P34913 6/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
MAOB P27338 2/20 0.34
ACACB O00763 2/20 0.34

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
SCHEMBL11914066 0.92 EPHX2 (0.43) EPHX2L3MBTL1ACACB
SCHEMBL11918317 0.82 L3MBTL1 (0.51) MGAT2EPHX2L3MBTL1
SCHEMBL19398567 0.80 APP (0.40) ACACB
SCHEMBL10141615 0.80 ACACB (0.42) L3MBTL1ACACB
SCHEMBL4550384 0.80 EPHX2 (0.41) EPHX2ACACB
Hydrochloric Acid SCHEMBL2714794 0.79 EPHX2 (0.41) EPHX2ACACB
SCHEMBL23468024 0.79 ACACB (0.39) ACACB
SCHEMBL15034210 0.79 PTGDR2 (0.46) PTGDR2MGAT2EPHX2L3MBTL1MAOB
SCHEMBL10141613 0.78 ACACB (0.49) ACACB
SCHEMBL20216138 0.77 PIK3CD (0.40) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10183933-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-01-22 US disclosed
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2017-09-14 US disclosed
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 US disclosed
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 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 (4 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-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 PTGDR2 2028/4885MGAT2 3854/4885EPHX2 4054/4885
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 PTGDR2 2028/4885MGAT2 3854/4885EPHX2 4054/4885
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 PTGDR2 2028/4885MGAT2 3854/4885EPHX2 4054/4885
US-10183933-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase PIK3CD, PIK3CA, PIK3R5 PTGDR2 2028/4885MGAT2 3854/4885EPHX2 4054/4885

“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.