Sugi Predict

Sugi Predict / Compounds / SCHEMBL10080965

SCHEMBL10080965

SCHEMBL10080965

COc1ncc(C(C)C)cc1OC(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ PIK3CA P42336 4/20 0.31
▸ PIK3R1 P27986 1/20 0.31
▸ GAK O14976 1/20 0.31
▸ MAP4K1 Q92918 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ BRPF1 P55201 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ PDE10A Q9Y233 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CG P48736 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
SCHEMBL799306 0.87 PIK3CA (0.38) ALDH1A1HDAC4HDAC8PIK3CAEGFR
SCHEMBL10141674 0.86 GRIN1 (0.36) HPGDSMN1; SMN2PIK3CAPIK3R1
SCHEMBL10141662 0.86 TRPM8 (0.39) TRPM8MAPTALDH1A1GAAHPGD
SCHEMBL10080955 0.81 ALDH1A1 (0.37) MAPTALDH1A1GAASMN1; SMN2
SCHEMBL13791681 0.80 NPSR1 (0.40) TRPM8NPSR1MAPTPIK3CAPIK3R1
SCHEMBL10175177 0.80 SLC13A5 (0.34) TRPM8NPSR1PIK3CAPIK3R1GAK
SCHEMBL189548 0.79 PIK3CA (0.38) TRPM8NPSR1MAPTPIK3CAPIK3R1
SCHEMBL10141668 0.78 FPR2 (0.43) MAPTALDH1A1GAASMN1; SMN2CASP1
SCHEMBL10141619 0.78 PIK3CA (0.42) MAPTPIK3CAPIK3R1
SCHEMBL10141675 0.77 MAPT (0.32) MAPTCETP

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 14 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-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2017-09-14 — — US disclosed
US-9676759-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-13 — — US disclosed
US-9676759-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-13 — — US disclosed
US-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-02-06 — — US disclosed
US-8466288-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-18 — — US disclosed
US-8268999-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 — — US disclosed
US-8268999-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 — — US disclosed
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 — — US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 — — US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 — — US disclosed
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 — — US disclosed
WO-2010135014-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-25 — — 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 (6 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-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 TRPM8 4131/4885NPSR1 4782/4885MAPT 2239/4885
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 TRPM8 4131/4885NPSR1 4782/4885MAPT 2239/4885
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS PIK3CA, PIK3CD, PIK3CG TRPM8 2369/4885NPSR1 4701/4885MAPT 3245/4885
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 TRPM8 4131/4885NPSR1 4782/4885MAPT 2239/4885
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 TRPM8 4131/4885NPSR1 4782/4885MAPT 2239/4885
US-10183933-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase PIK3CD, PIK3CA, PIK3R5 TRPM8 4131/4885NPSR1 4782/4885MAPT 2239/4885

“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.