Sugi Predict

Sugi Predict / Compounds / SCHEMBL422959

SCHEMBL422959

SCHEMBL422959

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.42
▸ LPL P06858 13/20 0.42
▸ LIPG Q9Y5X9 13/20 0.42
▸ TSHR P16473 1/20 0.37
▸ 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
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ F11 P03951 1/20 0.36
▸ AR P10275 1/20 0.35

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
SCHEMBL13089217 0.87 ESR2 (0.42) ESR2LPLLIPGTSHRCA1
SCHEMBL12327209 0.86 LIPG (0.44) ESR2LPLLIPGCA1CA2
SCHEMBL30015551 0.85 TRPV4 (0.43) ESR2LPLLIPGAR
SCHEMBL748654 0.85 TRPV4 (0.43) ESR2LPLLIPGAR
SCHEMBL14830981 0.82 ESR2 (0.41) ESR2LPLLIPGCA1CA2
SCHEMBL18497270 0.82 VCAM1 (0.41) ESR2LPLLIPGCA1CA2
SCHEMBL751210 0.82 LPL (0.47) ESR2LPLLIPGCA1CA2
SCHEMBL30376230 0.82 LPL (0.47) ESR2LPLLIPGCA1CA2
SCHEMBL16014723 0.82 ESR2 (0.41) ESR2LPLLIPGCA1CA2
SCHEMBL1668230 0.80 ESR2 (0.42) ESR2LPLLIPGTSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026766-A1 Thiazolopyridyl Amide Derivatives as DNA Polymerase Theta Inhibitors BEIGENE, LTD. (KY) 2025-01-23 — — US disclosed
EP-4463456-A1 THIAZOLOPYRIDYL AMIDE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS BeiGene, Ltd. (KY) 2024-11-20 — — EP disclosed
US-20240327380-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2024-10-03 — — US disclosed
CN-116917279-A BTK inhibitors 渤健马萨诸塞州股份有限公司 2023-10-20 — — CN disclosed
WO-2023134708-A1 THIAZOLOPYRIDYL AMIDE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS BEIGENE , LTD. (KY) 2023-07-20 — — WO disclosed
EP-4192587-A1 BTK INHIBITORS Biogen MA Inc. (US) 2023-06-14 — — EP disclosed
WO-2022032019-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2022-02-10 — — WO disclosed
WO-2020166825-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-08-20 — — WO disclosed
WO-2020023393-A1 KINASE ANTAGONISTS AND METHODS FOR MAKING AND USING THEM BIOBLOCKS, INC. (US) 2020-01-30 — — WO disclosed
US-10407409-B2 6-(5-hydroxy-1H-pyrazol-1-yl)nicotinamide inhibitors of PHD TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-10 — — US disclosed
WO-2010130796-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 — — WO disclosed
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 — — US disclosed
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 — — US disclosed
WO-2010116282-A1 4, 5-DIHYDRO-LH-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. (US) 2010-10-14 — — WO disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 — — US disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 — — US disclosed
WO-2010038465-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2010-04-08 — — WO disclosed
EP-1696915-A1 BENZENESULFONYLAMINO-PYRIDIN-2-YL DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11-BETA-HSD-1) FOR THE TREATMENT OF DIABETES AND OBESITY Pfizer, Inc. (US) 2006-09-06 — — EP disclosed
US-20050148631-A1 Amino heterocyclyl inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AGOURON PHARMACEUTICALS, INC. 2005-07-07 — — US disclosed
WO-2005060963-A1 BENZENESULFONYLAMINO-PYRIDIN-2-YL DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11-BETA-HSD-1) FOR THE TREATMENT OF DIABETES AND OBESITY PFIZER INC. (US) 2005-07-07 — — 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 (6 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-20240327380-A1 BTK INHIBITORS BTK, SYK, LYN ESR2 3873/4885LPL 2010/4885LIPG 2163/4885
US-20050148631-A1 Amino heterocyclyl inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B11, HSD11B2 ESR2 1065/4885LPL 1627/4885LIPG 2028/4885
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 ESR2 1734/4885LPL 3942/4885LIPG 3515/4885
US-20250026766-A1 Thiazolopyridyl Amide Derivatives as DNA Polymerase Theta Inhibitors POLQ, POLK, POLI ESR2 1447/4885LPL 2850/4885LIPG 2760/4885
US-10407409-B2 6-(5-hydroxy-1H-pyrazol-1-yl)nicotinamide inhibitors of PHD HIF1AN, EGLN3, EGLN2 ESR2 1533/4885LPL 4453/4885LIPG 2756/4885
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 ESR2 1592/4885LPL 1237/4885LIPG 2065/4885

“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.