SCHEMBL21802746

SCHEMBL21802746

C[C@H]1C[C@@H](O)CN1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SNCA P37840 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PKM P14618 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 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
SCHEMBL20446605 0.81 CA1 (0.42) CYP2D6ALDH1A1LMNAHTTKDM4E
SCHEMBL5740867 0.80 CYP2D6 (0.48) CYP2D6ALDH1A1LMNAHTTKDM4E
SCHEMBL1026108 0.80 CYP2D6 (0.39) CYP2D6ALDH1A1LMNAHTTKDM4E
SCHEMBL30728425 0.80 CYP2D6 (0.39) CYP2D6ALDH1A1LMNAHTTKDM4E
SCHEMBL31424653 0.77 CYP2D6 (0.43) CYP2D6ALDH1A1LMNAHTTKDM4E
SCHEMBL657897 0.77 CYP2D6 (0.54) CYP2D6ALDH1A1LMNAHTTKDM4E
Phosphine SCHEMBL3185895 0.76 GAA (0.59) CYP2D6ALDH1A1LMNAHTTKDM4E
SCHEMBL1541561 0.76 CYP2D6 (0.50) CYP2D6ALDH1A1LMNAHTTKDM4E
SCHEMBL512305 0.75 CYP2D6 (0.47) CYP2D6ALDH1A1LMNAHTTKDM4E
SCHEMBL5734726 0.75 CYP2D6 (0.47) CYP2D6ALDH1A1LMNAHTTKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023070064-A1 O-GLCNACASE (OGA) INHIBITOR COMBINATION THERAPY ELI LILLY AND COMPANY (US) 2023-04-27 — — WO disclosed
EP-3856739-A1 6-FLUORO-2-METHYLBENZO[D]THIAZOL-5-YL COMPOUNDS Eli Lilly and Company (US) 2021-08-04 — — EP disclosed
US-10836773-B1 6-fluoro-2-methylbenzo[d]thiazol-5-yl compounds ELI LILLY AND COMPANY (US) 2020-11-17 — — US disclosed
US-10752632-B2 6-fluoro 2-methylbenzo[d]thiazol-5-yl compounds ELI LILLY AND COMPANY (US) 2020-08-25 — — US disclosed
WO-2020068530-A1 6-FLUORO-2-METHYLBENZO[D]THIAZOL-5-YL COMPOUNDS ELI LILLY AND COMPANY (US) 2020-04-02 — — WO disclosed
US-20200095254-A1 6-Fluoro-2-Methylbenzo[d]thiazol-5-yl Compounds ELI LILLY AND COMPANY 2020-03-26 — — 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 (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-10752632-B2 6-fluoro 2-methylbenzo[d]thiazol-5-yl compounds MAPT, HTT, TFEB CYP2D6 601/4885ALDH1A1 712/4885LMNA 4522/4885
US-20200095254-A1 6-Fluoro-2-Methylbenzo[d]thiazol-5-yl Compounds MAPT, HTT, PSEN2 CYP2D6 665/4885ALDH1A1 823/4885LMNA 4431/4885
US-10836773-B1 6-fluoro-2-methylbenzo[d]thiazol-5-yl compounds MAPT, HTT, PSEN2 CYP2D6 665/4885ALDH1A1 823/4885LMNA 4431/4885

“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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