SCHEMBL738520

SCHEMBL738520

C[C@H]1COCCN1c1cc(C(C)(C)S(C)(=O)=O)nc(-c2ccc(NC(=S)NCCO)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 1.00
PIK3CD O00329 15/20 1.00
MTOR P42345 7/20 0.67
PIK3CB P42338 1/20 0.67
PIK3CG P48736 1/20 0.67

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
SCHEMBL738603 0.92 PIK3CA (0.85) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL737935 0.92 PIK3CA (0.84) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3608924 0.91 PIK3CA (0.85) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL739807 0.91 PIK3CA (0.83) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL737933 0.91 PIK3CA (0.83) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL737932 0.90 PIK3CA (0.81) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL736648 0.90 PIK3CA (0.81) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL10266969 0.87 PIK3CA (0.78) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL739797 0.87 PIK3CA (0.78) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3598606 0.87 PIK3CA (0.83) PIK3CAPIK3CDMTORPIK3CBPIK3CG

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731512-B9 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT NISSAN CHEMICAL IND LTD (JP) 2017-03-01 EP claimed
EP-1731512-B1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT NISSAN CHEMICAL IND LTD (JP) 2014-10-01 EP claimed
EP-2176238-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2012-04-18 EP claimed
US-8138183-B2 Morpholino pyrimidine derivatives used in diseases linked to mTOR kinase and/or PI3K ASTRAZENECA AB (SE) 2012-03-20 US claimed
US-20100249131-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2010-09-30 US claimed
EP-2176238-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K AstraZeneca AB (SE) 2010-04-21 EP claimed
US-7662972-B2 Isoxazoline-substituted benzamide compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-02-16 US claimed
WO-2009007750-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2009-01-15 WO claimed
US-20070066617-A1 Insecticidal and acaricidal activity for many agricultural insect pests, spider mites; endo- or ecto-parasiticide for mammals or birds; veterinary medicine; environmentally friendly NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-22 US claimed
EP-1731512-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2006-12-13 EP claimed
US-20230355590-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL CORPORATION (JP) 2023-11-09 US disclosed
US-10874645-B2 Isoxazoline-substituted benzamide compound and pesticide NISSAN CHEMICAL CORPORATION (JP) 2020-12-29 US disclosed
US-20200155511-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL CORPORATION (JP) 2020-05-21 US disclosed
US-20170065565-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-03-09 US disclosed
EP-1731512-B9 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT NISSAN CHEMICAL IND LTD (JP) 2017-03-01 EP disclosed
US-7662972-B2 Isoxazoline-substituted benzamide compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-02-16 US disclosed
US-20090312330-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-12-17 US disclosed
WO-2009007750-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
US-20070066617-A1 Insecticidal and acaricidal activity for many agricultural insect pests, spider mites; endo- or ecto-parasiticide for mammals or birds; veterinary medicine; environmentally friendly NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-22 US disclosed
EP-1731512-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2006-12-13 EP 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 (7 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-20230355590-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE HDAC7, ACHE, BRDT PIK3CA 3328/4885PIK3CD 2574/4885MTOR 2256/4885
US-20090312330-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE ATM, CHRM1, NAT1 PIK3CA 4031/4885PIK3CD 4418/4885MTOR 3237/4885
US-10874645-B2 Isoxazoline-substituted benzamide compound and pesticide C3AR1, C5, C9 PIK3CA 3271/4885PIK3CD 3692/4885MTOR 4628/4885
US-20170065565-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE C3AR1, C5, C9 PIK3CA 3084/4885PIK3CD 3589/4885MTOR 4752/4885
US-20100249131-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K PIK3CA, MTOR, PIK3CD PIK3CA 1/4885PIK3CD 3/4885MTOR 2/4885
US-20070066617-A1 Insecticidal and acaricidal activity for many agricultural insect pests, spider mites; endo- or ecto-parasiticide for mammals or birds; veterinary medicine; environmentally friendly CHRM1, DDT, ATM PIK3CA 3950/4885PIK3CD 4228/4885MTOR 3072/4885
US-20200155511-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE C3AR1, C5, C9 PIK3CA 3271/4885PIK3CD 3692/4885MTOR 4628/4885

“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.