Sugi Predict

Sugi Predict / Compounds / SCHEMBL788799

SCHEMBL788799

SCHEMBL788799

[CH2]C(C)(C)c1ccc(OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.55
▸ CA2 P00918 2/20 0.55
▸ CA7 P43166 2/20 0.55
▸ CA9 Q16790 2/20 0.55
▸ CA12 O43570 1/20 0.55
▸ CA14 Q9ULX7 1/20 0.55
▸ ACHE P22303 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ TDP1 Q9NUW8 5/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPK1 P28482 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ AOC3 Q16853 1/20 0.44
▸ CYP3A4 P08684 3/20 0.43
▸ TSHR P16473 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43

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
SCHEMBL3098811 0.79 CA1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL3665016 0.79 MAPT (0.64) CA1CA2CA7CA9CA12
SCHEMBL678596 0.79 CA1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL78643 0.79 MAPT (0.64) CA1CA2CA7CA9CA12
SCHEMBL10112753 0.79 CA1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL83852 0.79 CA1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL1538395 0.79 CA1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL20603754 0.78 CA1 (0.52) CA1CA2CA7CA9CA12
Fluoride SCHEMBL31538992 0.77 MAPT (0.62) CA1CA2CA7CA9CA12
SCHEMBL7592144 0.76 CA1 (0.50) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 — — EP claimed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 — — US claimed
EP-3089980-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-11-09 — — EP claimed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 — — US claimed
CN-105980387-A Serine/threonine kinase inhibitors 阵列生物制药公司 2016-09-28 — — CN claimed
WO-2015103137-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2015-07-09 — — WO claimed
US-20240115626-A1 COMPOSITIONS AND METHODS TO INCREASE PRODUCTION OF ISOTHIOCYANATES CHURCH & DWIGHT CO., INC. (US) 2024-04-11 — — US disclosed
US-11801273-B2 Compositions and methods to increase production of isothiocyanates CHURCH & DWIGHT CO., INC. (US) 2023-10-31 — — US disclosed
WO-2023133494-A2 OIL-BASED ISOTHIOCYANATE PRODUCTS AND PROCESSES FOR PREPARING OIL-BASED ISOTHIOCYANATE PRODUCTS BRASSICA PROTECTION PRODUCTS LLC (US) 2023-07-13 — — WO disclosed
US-11376260-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2022-07-05 — — US disclosed
WO-2022140409-A1 COMPOSITIONS AND METHODS TO INCREASE PRODUCTION OF ISOTHIOCYANATES CHURCH & DWIGHT CO., INC. (US) 2022-06-30 — — WO disclosed
US-20220193152-A1 COMPOSITIONS AND METHODS TO INCREASE PRODUCTION OF ISOTHIOCYANATES CHURCH & DWIGHT CO., INC. (US) 2022-06-23 — — US disclosed
US-20210106593-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2021-04-15 — — US disclosed
WO-2005049028-A1 USE OF CATHEPSIN K INHIBITORS IN SEVERE BONE LOSS DISEASES NOVARTIS AG (CH) 2005-06-02 — — WO disclosed
WO-2005014006-A1 COMBINATIONS OF A CATHEPSIN K INHIBITOR AND A BISPHOPHONATE IN THE TREATMENT OF BONE METASTASIS, TUMOR GROWTH AND TUMOR-INDUCED BONE LOSS NOVARTIS AG (CH) 2005-02-17 — — WO disclosed
EP-1423121-A1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES Novartis AG (CH) 2004-06-02 — — EP disclosed
WO-2003020278-A1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES NOVARTIS AG (CH) 2003-03-13 — — WO disclosed
WO-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 — — WO disclosed
EP-0421385-A1 Process for producing p-hydroxyneophyl m-phenoxybenzyl ether MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-04-10 — — EP disclosed
US-4119729-A TREATMENT OF HYPERTENSION MEAD JOHNSON & COMPANY (US) 1978-10-10 — — 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 (3 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-11376260-B2 Serine/threonine kinase inhibitors MAP3K1, MAP3K4, MAP4K2 CA1 4774/4885CA2 4076/4885CA7 4726/4885
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS TTBK1, MAP3K1, TNNI3K CA1 801/4885CA2 1246/4885CA7 2252/4885
US-20210106593-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K4, MAP4K2 CA1 4774/4885CA2 4076/4885CA7 4726/4885

“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.