Sugi Predict

Sugi Predict / Compounds / SCHEMBL516745

SCHEMBL516745

SCHEMBL516745

COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 4/20 0.42
▸ F2 P00734 2/20 0.41
▸ F11 P03951 2/20 0.41
▸ PRSS1 P07477 2/20 0.41
▸ PRSS2 P07478 2/20 0.41
▸ PRSS3 P35030 2/20 0.41
▸ DGAT1 O75907 1/20 0.40
▸ NOTUM Q6P988 1/20 0.39
▸ HIF1A Q16665 3/20 0.39
▸ LPL P06858 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ ESRRA P11474 1/20 0.37
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA3 P07451 1/20 0.36

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
SCHEMBL17939956 0.90 NOTUM (0.42) CFTRF2F11PRSS1PRSS2
SCHEMBL15288840 0.86 F2 (0.48) F2F11PRSS1PRSS2PRSS3
SCHEMBL1328892 0.84 F11 (0.49) F2F11PRSS1PRSS2PRSS3
SCHEMBL25035049 0.83 HIF1A (0.43) F2F11PRSS1PRSS2PRSS3
SCHEMBL21200449 0.83 CFTR (0.39) CFTRF2F11PRSS1PRSS2
SCHEMBL516413 0.82 ROCK1 (0.46) CFTRF2F11PRSS1PRSS2
SCHEMBL30004376 0.82 ROCK1 (0.46) CFTRF2F11PRSS1PRSS2
SCHEMBL516237 0.82 F2 (0.40) CFTRF2F11PRSS1PRSS2
SCHEMBL20505157 0.82 DGAT1 (0.47) CFTRF2F11PRSS1PRSS2
SCHEMBL21217812 0.81 LIPG (0.40) F2F11PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260070880-A1 DYNAMIN ACTIVATORS WALDEN BIOSCIENCES, INC. (US) 2026-03-12 — — 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
CN-117510470-A Pyridazinone compounds and application thereof 暨南大学 2024-02-06 — — CN disclosed
CN-112805279-B Isoxazole derivative, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-09-12 — — CN disclosed
US-11667629-B2 Isoxazole derivative, preparation method therefor, and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-06-06 — — US disclosed
CN-111263759-B Isoxazole derivative and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-03-28 — — CN disclosed
EP-3730491-B1 ISOXAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2022-07-20 — — EP disclosed
US-20200339558-A1 ISOXAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BiOTECH BIGPHARMACEUTICAL CO., LTD. (CN) 2020-10-29 — — US disclosed
EP-3730491-A1 ISOXAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-10-28 — — EP disclosed
US-9493396-B2 Substituted naphthalene compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-11-15 — — US disclosed
US-8633183-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 — — US disclosed
US-8633183-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 — — US disclosed
US-8633183-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 — — US disclosed
EP-2528903-A1 5-ALKYNYL-PYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2012-12-05 — — EP disclosed
US-20120028952-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 — — US disclosed
US-20120028952-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 — — US disclosed
US-20120028952-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 — — US disclosed
WO-2011092198-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 — — WO disclosed
WO-2011092198-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 — — WO disclosed
US-20100168079-A1 Biaryl Benzylamine Derivatives ANGST DANIELA 2010-07-01 — — 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 (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-20200339558-A1 ISOXAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF CYP4A11, CYP4F11, SLC10A1 CFTR 160/4885F2 884/4885F11 416/4885
US-20260070880-A1 DYNAMIN ACTIVATORS DNM1, DNM1L, DNM2 CFTR 198/4885F2 4390/4885F11 2737/4885
US-11667629-B2 Isoxazole derivative, preparation method therefor, and use thereof CYP4A11, CYP4F11, SLC10A1 CFTR 160/4885F2 884/4885F11 416/4885
US-20120028952-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 CFTR 1018/4885F2 2702/4885F11 3338/4885
US-20100168079-A1 Biaryl Benzylamine Derivatives BRD3, BRD2, BBOX1 CFTR 799/4885F2 2968/4885F11 4860/4885

“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.