SCHEMBL2996048

SCHEMBL2996048

CC(C)N1Cc2cc(-c3cc(C(=O)O)no3)cc(Cl)c2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.58
KCNH2 Q12809 2/20 0.45
PIK3CD O00329 3/20 0.43
PIK3R1 P27986 3/20 0.43
PIK3CA P42336 3/20 0.43
PIK3CB P42338 2/20 0.42
ALDH1A1 P00352 3/20 0.40
CDH1 P12830 1/20 0.39
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
PTPN1 P18031 2/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
RXRA P19793 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL7968545 0.90 PIK3CG (0.57) PIK3CGKCNH2PIK3CDPIK3R1PIK3CA
SCHEMBL4566386 0.89 PIK3CG (0.75) PIK3CGKCNH2PIK3CDPIK3R1PIK3CA
SCHEMBL2994121 0.89 PIK3CG (0.75) PIK3CGKCNH2PIK3CDPIK3R1PIK3CA
SCHEMBL1178682 0.86 NPC1 (0.55) PIK3CGALDH1A1MAPTHPGDNPC1
Dimethylamine SCHEMBL1685907 0.86 PIK3CG (0.54) PIK3CGKCNH2PIK3CDPIK3R1PIK3CA
SCHEMBL1179168 0.85 NPC1 (0.57) PIK3CGALDH1A1MAPTHPGDNPC1
SCHEMBL1178249 0.83 PIK3CG (0.51) PIK3CGKCNH2PIK3CDPIK3R1PIK3CA
SCHEMBL1178858 0.83 PIK3CG (0.57) PIK3CGNPC1RAB9ASMN1; SMN2
SCHEMBL27831529 0.79 PIK3CG (0.73) PIK3CGKCNH2PIK3CDPIK3R1PIK3CA
SCHEMBL1178278 0.79 PIK3CG (0.73) PIK3CGKCNH2PIK3CDPIK3R1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102105466-B Isoxazole derivatives and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2014-10-15 CN claimed
CN-102105466-A Isoxazole derivatives and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB 2011-06-22 CN claimed
US-20100317662-A1 Metabotropic Glutamate Receptor Isoxazole Ligands and Their Use as Potentiators - 286 CACCIOLA JOSEPH 2010-12-16 US claimed
EP-2772492-B1 Use of an isoxazole derivative for the treatment of withdrawal symptom ASTRAZENECA AB (SE) 2016-08-17 EP disclosed
CN-102105466-B Isoxazole derivatives and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2014-10-15 CN disclosed
EP-2772492-A1 Use of an isoxazole derivative for the treatment of withdrawal symptom AstraZeneca AB (SE) 2014-09-03 EP disclosed
EP-2303872-B1 ISOXAZOLE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2014-04-16 EP disclosed
CN-102105466-A Isoxazole derivatives and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB 2011-06-22 CN disclosed
US-20100324044-A1 METABOTROPIC GLUTAMATE RECEPTOR ISOXAZOLE LIGANDS AND THEIR USE AS POTENTIATORS CACCIOLA JOSEPH 2010-12-23 US disclosed
US-20100317662-A1 Metabotropic Glutamate Receptor Isoxazole Ligands and Their Use as Potentiators - 286 CACCIOLA JOSEPH 2010-12-16 US disclosed
US-7790760-B2 Metabotropic glutamate receptor isoxazole ligands and their use as potentiators 286 ASTRAZENECA AB (SE) 2010-09-07 US disclosed
US-7781434-B2 Metabotropic glutamate receptor isoxazole ligands and their use as potentiators—286 ASTRAZENECA AB (SE) 2010-08-24 US disclosed
US-20100022545-A1 Metabotropic Glutamate Receptor Isoxazole Ligands and Their Use as Potentiators - 286 CACCIOLA JOSEPH 2010-01-28 US disclosed
WO-2009148403-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-12-10 WO disclosed
US-20090306158-A1 Metabotropic Glutamate Receptor Isoxazole Ligands and Their Use as Potentiators 286 ASTRAZENECA AB (SE) 2009-12-10 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-20100022545-A1 Metabotropic Glutamate Receptor Isoxazole Ligands and Their Use as Potentiators - 286 GRM1, GRM3, GRIN1 PIK3CG 2627/4885KCNH2 892/4885PIK3CD 2609/4885
US-20090306158-A1 Metabotropic Glutamate Receptor Isoxazole Ligands and Their Use as Potentiators 286 GRM1, GRM3, GRIN1 PIK3CG 2539/4885KCNH2 818/4885PIK3CD 2563/4885
US-20100317662-A1 Metabotropic Glutamate Receptor Isoxazole Ligands and Their Use as Potentiators - 286 GRM1, GRM3, GRIN1 PIK3CG 2627/4885KCNH2 892/4885PIK3CD 2609/4885
US-20100324044-A1 METABOTROPIC GLUTAMATE RECEPTOR ISOXAZOLE LIGANDS AND THEIR USE AS POTENTIATORS GRM1, GRM3, GRM2 PIK3CG 2553/4885KCNH2 799/4885PIK3CD 2686/4885

“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.