SCHEMBL364081

SCHEMBL364081

COC(=O)c1ccc(B(O)O)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
TTR P02766 2/20 0.44
PDK2 Q15119 2/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
PDK4 Q16654 1/20 0.43
NR4A2 P43354 4/20 0.42
GAA P10253 3/20 0.41
ENPP2 Q13822 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL29950902 1.00 ABL1 (0.47) ABL1TTRPDK2CA12CA1
SCHEMBL660617 0.86 MEN1 (0.50) ABL1TTRPDK2CA12CA1
SCHEMBL29712893 0.86 MEN1 (0.50) ABL1TTRPDK2CA12CA1
SCHEMBL9110483 0.84 CA1 (0.47) ABL1PDK2CA12CA1CA2
SCHEMBL15286075 0.82 CYP4F2 (0.49) TTRCA12CA1CA2CA7
SCHEMBL29954716 0.82 CYP4F2 (0.49) TTRCA12CA1CA2CA7
SCHEMBL9108508 0.81 CA12 (0.62) ABL1PDK2CA12CA1CA2
SCHEMBL516907 0.81 KDM4E (0.46) ABL1PDK2CA12CA1CA2
SCHEMBL29492895 0.81 KDM4E (0.46) ABL1PDK2CA12CA1CA2
SCHEMBL24526211 0.79 CA1 (0.43) ABL1PDK2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106636043-B Method for producing protease 广州立白企业集团有限公司 2020-04-07 CN claimed
US-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-08-29 US disclosed
CN-112812114-B Isoxazole derivative, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-05-28 CN disclosed
EP-4362978-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-05-08 EP disclosed
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
WO-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 WO disclosed
CN-110662743-B Lactam compounds as FXR receptor agonists 石药集团中奇制药技术(石家庄)有限公司 2022-09-30 CN disclosed
EP-3131897-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-06-15 EP disclosed
US-11339147-B2 Lactam compound as FXR receptor agonist CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2022-05-24 US disclosed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 EP disclosed
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP disclosed
WO-2009052078-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 EP disclosed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 WO disclosed
US-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ASTELLAS PHARMA INC. (JP) 2005-04-28 US disclosed
EP-1483236-A1 AMINOALCOHOL DERIVATIVES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-08 EP disclosed
WO-2003076397-A1 AMINOALCOHOL DERIVATIVES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 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 (5 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-11339147-B2 Lactam compound as FXR receptor agonist NR1H4, GPBAR1, SLC10A1 ABL1 2431/4885TTR 4760/4885PDK2 4451/4885
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA ABL1 835/4885TTR 4519/4885PDK2 212/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R ABL1 863/4885TTR 624/4885PDK2 1629/4885
US-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL1RN ABL1 1472/4885TTR 3283/4885PDK2 4297/4885
US-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ABL1 3437/4885TTR 4250/4885PDK2 2844/4885

“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.