SCHEMBL1269347

SCHEMBL1269347

Cc1c(OCC(F)(F)F)ccnc1CS(=O)(=S)c1nc2ccccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 5/20 0.61
▸ MAPT P10636 4/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ ATP4A P20648 4/20 0.61
▸ ATP4B P51164 4/20 0.61
▸ WDR5 P61964 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ ENGASE Q8NFI3 3/20 0.61
▸ NPC1 O15118 3/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ SARM1 Q6SZW1 3/20 0.61
▸ ATP1A1 P05023 3/20 0.61
▸ ATP1B1 P05026 3/20 0.61
▸ ATP1A3 P13637 3/20 0.61
▸ ATP1B2 P14415 3/20 0.61
▸ ATP1A2 P50993 3/20 0.61
▸ ATP1B3 P54709 3/20 0.61
▸ FXYD2 P54710 3/20 0.61
▸ ATP1A4 Q13733 3/20 0.61
▸ CYP1A2 P05177 2/20 0.61

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
SCHEMBL30052062 0.90 CYP2C9 (0.63) CYP2C9MAPTALDH1A1ATP4AATP4B
SCHEMBL106666 0.90 CYP2C9 (0.63) CYP2C9MAPTALDH1A1ATP4AATP4B
SCHEMBL2364997 0.83 CYP2C9 (0.60) CYP2C9MAPTALDH1A1ATP4AATP4B
SCHEMBL29323859 0.83 CYP2C9 (0.55) CYP2C9MAPTALDH1A1ATP4AATP4B
SCHEMBL3204734 0.82 NPC1 (0.57) CYP2C9MAPTALDH1A1ATP4AATP4B
1,4-Butanediol SCHEMBL2365476 0.79 CYP2C9 (0.55) CYP2C9MAPTALDH1A1ATP4AATP4B
SCHEMBL2363618 0.78 MAPT (0.54) CYP2C9MAPTALDH1A1ATP4AATP4B
SCHEMBL29527545 0.78 ATP4A (0.49) CYP2C9MAPTALDH1A1ATP4AATP4B
SCHEMBL26639276 0.78 ATP4A (0.49) CYP2C9MAPTALDH1A1ATP4AATP4B
SCHEMBL26765332 0.78 ATP4A (0.49) CYP2C9MAPTALDH1A1ATP4AATP4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118530954-A Polycyclic ketone monooxygenase mutant and application thereof in chiral azole drug synthesis 福州大学 2024-08-23 — — CN claimed
US-20220016099-A1 BENZIMIDAZOLE OR BENZOXAZOLE DERIVATIVES FOR PREVENTING AND TREATING CENTRAL NERVOUS SYSTEM DISEASE, DIABETES, AND COMPLICATIONS THEREOF TRINUERO (KR) 2022-01-20 — — US claimed
CN-113582973-A Preparation method of thioether 丽珠医药集团股份有限公司 2021-11-02 — — CN claimed
CN-112939941-A Preparation method of lansoprazole 珠海润都制药股份有限公司 2021-06-11 — — CN claimed
CN-109467527-B Tartrate thioester compound and preparation method and application thereof 江苏奥赛康药业有限公司 2021-04-06 — — CN claimed
WO-2020116742-A1 BENZIMIDAZOLE OR BENZOXAZOLE DERIVATIVES FOR PREVENTING AND TREATING CENTRAL NERVOUS SYSTEM DISEASE, DIABETES, AND COMPLICATIONS THEREOF 주식회사 트리뉴로 2020-06-11 — — WO claimed
CN-110545815-A Medical application of cytochrome bc1 compound inhibitor BEIJING WEILANZHIYUAN MEDICAL TECH CO LTD 2019-12-06 — — CN claimed
CN-106946849-A A kind of R-lansoprazole and preparation method thereof and purposes 乐普药业科技有限公司 2017-07-14 — — CN claimed
EP-2521531-B1 SKIN LIGHTENING COMPOSITIONS ELC MAN LLC (US) 2017-07-12 — — EP claimed
WO-2008001392-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF PANTOPRAZOLE AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS MSN LABORATORIES LIMITED (IN) 2008-01-03 — — WO claimed
WO-2007138468-A2 PROCESSES FOR THE PREPARATION OF LANSOPRAZOLE WOCKHARDT LTD (IN) 2007-12-06 — — WO claimed
CN-118530954-A Polycyclic ketone monooxygenase mutant and application thereof in chiral azole drug synthesis 福州大学 2024-08-23 — — CN disclosed
US-20240238264-A1 INHIBITORS OF SARM1 NADASE ACTIVITY AND USES THEREOF DISARM THERAPEUTICS, INC. 2024-07-18 — — US disclosed
CN-110545815-B Medical application of cytochrome bc1 complex inhibitor 北京蔚蓝之源医药科技有限公司 2024-07-05 — — CN disclosed
CN-114836395-B Thioether monooxygenase mutant and application thereof in preparation of chiral azole drugs 华东理工大学 2024-04-26 — — CN disclosed
EP-1575935-B1 PROCESS FOR THE PREPARATION OF SULPHINYL DERIVATIVES BY OXIDATION OF THE CORRESPONDING SULFIDES CHEMI SPA (IT) 2006-05-24 — — EP disclosed
US-20060014798-A1 Process for the preparation of sulphinyl derivatives by oxidation of the corresponding sulfides CHEMI SPA (IT) 2006-01-19 — — US disclosed
EP-1575935-A1 PROCESS FOR THE PREPARATION OF SULPHINYL DERIVATIVES BY OXIDATION OF THE CORRESPONDING SULFIDES CHEMI S.p.A. (IT) 2005-09-21 — — EP disclosed
WO-2004080440-A1 PROCESS FOR THE PREPARING OF HARDCAPSULE FORMULATION CONTAINING LANSOPRAZOLE KOREA UNITED PHARM, INC. (KR) 2004-09-23 — — WO disclosed
WO-2004056803-A1 PROCESS FOR THE PREPARATION OF SULPHINYL DERIVATIVES BY OXIDATION OF THE CORRESPONDING SULFIDES CHEMI SPA (IT) 2004-07-08 — — 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 (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-20240238264-A1 INHIBITORS OF SARM1 NADASE ACTIVITY AND USES THEREOF SARM1, NADK, NNMT CYP2C9 4424/4885MAPT 242/4885ALDH1A1 1659/4885
US-20060014798-A1 Process for the preparation of sulphinyl derivatives by oxidation of the corresponding sulfides SQOR, STS, SI CYP2C9 276/4885MAPT 4699/4885ALDH1A1 1094/4885
US-20220016099-A1 BENZIMIDAZOLE OR BENZOXAZOLE DERIVATIVES FOR PREVENTING AND TREATING CENTRAL NERVOUS SYSTEM DISEASE, DIABETES, AND COMPLICATIONS THEREOF KEAP1, SLC5A1, GCLC CYP2C9 1053/4885MAPT 614/4885ALDH1A1 161/4885

“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.

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