SCHEMBL10080955

SCHEMBL10080955

CCOc1cc(C(C)C)cnc1OC

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
ALPL P05186 1/20 0.37
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
AOC3 Q16853 2/20 0.33
CRHR1 P34998 1/20 0.33
HIF1A Q16665 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
ENPP1 P22413 1/20 0.33
FPR2 P25090 1/20 0.32
P2RX3 P56373 2/20 0.32
P2RX2 Q9UBL9 2/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL10080957 0.89 ALPL (0.39) ALDH1A1TSHRALPLKDM4EMAPT
SCHEMBL10141668 0.87 FPR2 (0.43) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL10080967 0.86 HTR2A (0.37) ALDH1A1TSHRALPLKDM4EGAA
SCHEMBL799306 0.85 PIK3CA (0.38) ALDH1A1TSHRFPR2P2RX3P2RX2
SCHEMBL10141675 0.82 MAPT (0.32) MAPTCRHR1ACHE
SCHEMBL11918254 0.81 CNR2 (0.39) ALDH1A1KDM4EMAPTKMT2A
SCHEMBL10080965 0.81 TRPM8 (0.33) ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL10141669 0.80 FDPS (0.33) ALDH1A1KDM4EMAPTKMT2AFPR2
SCHEMBL10141664 0.80 CNR2 (0.41)
SCHEMBL23962923 0.79 PDE4B (0.41) ALDH1A1TSHRALPL

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 21 patents — showing the first 20. 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-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-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
US-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
US-7807690-B2 2,3-dihydro-iminoisoindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-05 US disclosed
US-7807690-B2 2,3-dihydro-iminoisoindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-05 US disclosed
US-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES CLARK RICHARD 2010-07-22 US disclosed
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 US disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 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 (9 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 ALDH1A1 3381/4885TSHR 4086/4885ALPL 2676/4885
US-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 ALDH1A1 1133/4885TSHR 1714/4885ALPL 2917/4885
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 ALDH1A1 3381/4885TSHR 4086/4885ALPL 2676/4885
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS PIK3CA, PIK3CD, PIK3CG ALDH1A1 3409/4885TSHR 2483/4885ALPL 3814/4885
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 ALDH1A1 3381/4885TSHR 4086/4885ALPL 2676/4885
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 ALDH1A1 1107/4885TSHR 1847/4885ALPL 3006/4885
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 ALDH1A1 3381/4885TSHR 4086/4885ALPL 2676/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 ALDH1A1 710/4885TSHR 104/4885ALPL 4362/4885
US-10183933-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase PIK3CD, PIK3CA, PIK3R5 ALDH1A1 3381/4885TSHR 4086/4885ALPL 2676/4885

“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.