Sugi Predict

Sugi Predict / Compounds / SCHEMBL557918

SCHEMBL557918

SCHEMBL557918

CC(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 8/20 0.51
▸ CA2 P00918 8/20 0.51
▸ CA9 Q16790 8/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA3 P07451 1/20 0.51
▸ CA4 P22748 1/20 0.51
▸ CA6 P23280 1/20 0.51
▸ CA5A P35218 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ CA5B Q9Y2D0 1/20 0.51
▸ LPL P06858 12/20 0.47
▸ LIPG Q9Y5X9 12/20 0.47

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
SCHEMBL14850013 0.89 CA1 (0.48) CA1CA2CA9CA12CA3
SCHEMBL14850012 0.87 CA1 (0.49) CA1CA2CA9CA12CA3
SCHEMBL21693475 0.82 CA1 (0.57) CA1CA2CA9CA12CA3
SCHEMBL14833072 0.81 CA1 (0.47) CA1CA2CA9CA12CA3
SCHEMBL20746776 0.81 CA1 (0.47) CA1CA2CA9CA12CA3
SCHEMBL10904 0.80 CA1 (0.56) CA1CA2CA9CA12CA3
SCHEMBL23758975 0.79 CA1 (0.54) CA1CA2CA9CA12CA3
SCHEMBL364006 0.79 CA1 (0.71) CA1CA2CA9CA12CA3
SCHEMBL30291951 0.78 CA1 (0.43) CA1CA2CA9CA12CA3
SCHEMBL24168896 0.78 CA1 (0.43) CA1CA2CA9CA12CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317723-A1 SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-09-26 — — US disclosed
EP-4330252-A1 SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) Ontario Institute for Cancer Research (OICR) (CA) 2024-03-06 — — EP disclosed
CN-117597340-A Substituted amino-aza-heteroaryl compounds as inhibitors of hematopoietic progenitor kinase 1 (HPK 1) 安大略省癌症研究所(OICR) 2024-02-23 — — CN disclosed
WO-2022226666-A1 SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 — — WO disclosed
US-10822331-B2 Processes for preparing ATR inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-11-03 — — US disclosed
US-10435397-B2 — — 2019-10-08 — — US disclosed
US-20190202818-A1 PROCESSES FOR PREPARING ATR INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2019-07-04 — — US disclosed
US-10208027-B2 Processes for preparing ATR inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-02-19 — — US disclosed
US-9862709-B2 Processes for making compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-01-09 — — US disclosed
US-20150274710-A1 PROCESSES FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2015-10-01 — — US disclosed
US-20130274268-A1 NEW BICYCLIC COMPOUND FOR MODULATING G PROTEIN-COUPLED RECEPTORS HANMI PHARM. CO., LTD (KR) 2013-10-17 — — US disclosed
US-20130184292-A1 Processes for Making Compounds Useful as Inhibitors of ATR Kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 — — US disclosed
US-20130089625-A1 Compounds Useful as Inhibitors of ATR Kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 — — US disclosed
EP-2569284-A1 2 -AMINOPYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2013-03-20 — — EP disclosed
EP-2569286-A2 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2013-03-20 — — EP disclosed
US-20120177748-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 — — US disclosed
WO-2012093809-A2 NEW BICYCLIC COMPOUND FOR MODULATING G PROTEIN-COUPLED RECEPTORS HANMI PHARM CO., LTD. (KR) 2012-07-12 — — WO disclosed
US-20120035408-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-09 — — US disclosed
WO-2011143423-A2 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 — — WO disclosed
WO-2011143422-A1 2 -AMINOPYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 — — 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 (11 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-10822331-B2 Processes for preparing ATR inhibitors ATR, ATRIP, CHEK1 CA1 2900/4885CA2 1969/4885CA9 3706/4885
US-20130184292-A1 Processes for Making Compounds Useful as Inhibitors of ATR Kinase ATR, ATRIP, CHEK1 CA1 2764/4885CA2 1593/4885CA9 3564/4885
US-20190202818-A1 PROCESSES FOR PREPARING ATR INHIBITORS ATR, ATRIP, CHEK1 CA1 2828/4885CA2 1926/4885CA9 3674/4885
US-20130274268-A1 NEW BICYCLIC COMPOUND FOR MODULATING G PROTEIN-COUPLED RECEPTORS GPR119, GPR65, GPR3 CA1 4446/4885CA2 2538/4885CA9 3762/4885
US-20240317723-A1 SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) DCK, CMPK1, PHKA1 CA1 4524/4885CA2 4452/4885CA9 3269/4885
US-10435397-B2 — ATR, ATRIP, TBK1 CA1 3204/4885CA2 1496/4885CA9 3957/4885
US-20120035408-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 CA1 4296/4885CA2 2538/4885CA9 4554/4885
US-20120177748-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K20 CA1 4207/4885CA2 2593/4885CA9 4281/4885
US-20150274710-A1 PROCESSES FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, ATRIP, CHEK1 CA1 2764/4885CA2 1593/4885CA9 3564/4885
US-20130089625-A1 Compounds Useful as Inhibitors of ATR Kinase ATR, CHEK1, MAP3K1 CA1 3035/4885CA2 1575/4885CA9 3950/4885
US-10208027-B2 Processes for preparing ATR inhibitors ATR, ATRIP, CHEK1 CA1 2828/4885CA2 1926/4885CA9 3674/4885

“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.