Sugi Predict

Sugi Predict / Compounds / SCHEMBL1336756

SCHEMBL1336756

SCHEMBL1336756

CC(C)OC(=O)[C@@H](O)[C@H](O)C(=O)OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.50
▸ HCAR2 Q8TDS4 1/20 0.39
▸ TP53 P04637 1/20 0.35
▸ CA12 O43570 6/20 0.35
▸ CA1 P00915 6/20 0.35
▸ CA2 P00918 6/20 0.35
▸ CA9 Q16790 6/20 0.35
▸ HTT P42858 1/20 0.35
▸ CA7 P43166 3/20 0.34
▸ CA14 Q9ULX7 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ ADRA1A P35348 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL1338978 1.00 TSHR (0.50) TSHRHCAR2TP53CA12CA1
SCHEMBL8636434 1.00 TSHR (0.50) TSHRHCAR2TP53CA12CA1
SCHEMBL571478 1.00 TSHR (0.50) TSHRHCAR2TP53CA12CA1
SCHEMBL5482220 0.89 TSHR (0.50) TSHRHCAR2TP53CA12CA1
SCHEMBL7438737 0.89 TSHR (0.42) TSHRHCAR2CA12CA1CA2
SCHEMBL12951517 0.88 TSHR (0.46) TSHRHCAR2TP53CA12CA1
SCHEMBL882439 0.88 TSHR (0.46) TSHRHCAR2TP53CA12CA1
SCHEMBL2246643 0.86 TSHR (0.43) TSHRHCAR2TP53CA12CA1
SCHEMBL2244398 0.86 TSHR (0.43) TSHRHCAR2TP53CA12CA1
SCHEMBL8272086 0.86 TSHR (0.43) TSHRHCAR2TP53CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760750-B1 Process for preparing levoketoconazole NURAY CHEMICALS PRIVATE LIMITED (IN) 2023-09-19 — — US claimed
CN-109503674-B 2-fluoro digitoxin sugar and its preparation method and application 江西师范大学 2023-06-02 — — CN claimed
CN-116178342-A Preparation method of dexlansoprazole enantiomer 湖南欧亚药业有限公司 2023-05-30 — — CN claimed
CN-109503681-B 2-Fluoro-L-ristosamine compound and synthetic method and application thereof 江西师范大学 2023-04-11 — — CN claimed
CN-113402461-B Method for preparing guaiazupyridine type sesquiterpene alkaloid 中国科学院新疆理化技术研究所 2023-02-03 — — CN claimed
CN-112604714-B COF @ MOF/M/L composite material and preparation method thereof 杭州阿德旺斯材料科技有限公司 2022-08-26 — — CN claimed
CN-112592326-B Enantioselective synthesis method of chiral (6Z,9Z) -3, 4-epoxy octadecadiene 常州大学 2022-05-17 — — CN claimed
CN-113402461-A Method for preparing guaiazupyridine type sesquiterpene alkaloid 中国科学院新疆理化技术研究所 2021-09-17 — — CN claimed
CN-112592326-A Enantioselective synthesis method of chiral (6Z,9Z) -3, 4-epoxy octadecadiene 常州大学 2021-04-02 — — CN claimed
EP-4745118-A1 HYDROXAMIC ACID COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF AND PREPARATION METHOD THEREFOR Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2026-05-20 — — EP disclosed
US-12466802-B2 Nebivolol synthesis method and intermediate compound thereof ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2025-11-11 — — US disclosed
US-20250145654-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. 2025-05-08 — — US disclosed
US-12252483-B2 Method for producing optically active 1, 4-benzothiazepine-1-oxide derivative AETAS PHARMA CO., LTD. (JP) 2025-03-18 — — US disclosed
EP-4493573-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE Rome Therapeutics, Inc. (US) 2025-01-22 — — EP disclosed
US-5750735-A CHEMICAL INTERMEDIATES FOR ANTIBIOTICS AMERICAN CYANAMID COMPANY (US) 1998-05-12 — — US disclosed
US-5623081-A USING BENZYLOXYACETALDEHYDE DIMETHYL ETHER, HALOGENATED 1-PHENYLMETHOXY-4-PENTEN-2-OL; CYCLIZATION LIN YANG-I (US) 1997-04-22 — — US disclosed
US-5602118-A A 2-((2-SUBSTITUTED ALKYL)FUR-3-YL)-THIO-),3-CARBOXY-2-CARBOPENEM DERIVATIVES; EFFECTIVE AGAINST BETA-LACTAM ANTIBIOTIC-RESISTANT BACTERIA AMERICAN CYANAMID COMPANY (US) 1997-02-11 — — US disclosed
US-5389647-A A prodrugs as hypotensive agents, treating congestive heart failure, urogenital disorders, vision defects ABBOTT LABORATORIES (US) 1995-02-14 — — US disclosed
EP-0617036-A2 Novel 2-thiosubstituted carbapenems AMERICAN CYANAMID COMPANY (US) 1994-09-28 — — EP disclosed
US-5244910-A Treating hypertension, congestive heart failure ABBOTT LABORATORIES (US) 1993-09-14 — — 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 (4 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-12252483-B2 Method for producing optically active 1, 4-benzothiazepine-1-oxide derivative DUOX1, WNT1, CYP4Z1 TSHR 3929/4885HCAR2 2709/4885TP53 4529/4885
US-12466802-B2 Nebivolol synthesis method and intermediate compound thereof CYP4A11, CYP11B2, CYP11B1 TSHR 3254/4885HCAR2 1588/4885TP53 4836/4885
US-20250145654-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE EHMT1, POLRMT, RNASE1 TSHR 3580/4885HCAR2 3357/4885TP53 1996/4885
US-11760750-B1 Process for preparing levoketoconazole KHK, KYAT3, PLK3 TSHR 2394/4885HCAR2 3973/4885TP53 2725/4885

“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.