Sugi Predict

Sugi Predict / Compounds / SCHEMBL1695960

SCHEMBL1695960

SCHEMBL1695960

CCOC(=O)C(O)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.53
▸ CES2 O00748 1/20 0.53
▸ CES1 P23141 1/20 0.53
▸ CHRM3 P20309 1/20 0.46
▸ ALOX5 P09917 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PIN1 Q13526 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ RORC P51449 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL1432886 0.84 MMP8 (0.45) KEAP1CES2CES1ALOX5SMN1; SMN2
SCHEMBL29045224 0.83 ALOX5 (0.43) KEAP1CES2CES1ALOX5SMN1; SMN2
SCHEMBL3407961 0.83 ALOX5 (0.45) KEAP1CES2CES1ALOX5SMN1; SMN2
SCHEMBL9000694 0.82 CES2 (0.56) KEAP1CES2CES1CHRM3ALOX5
SCHEMBL10760292 0.81 KEAP1 (0.44) KEAP1CES2CES1CHRM3ALOX5
SCHEMBL25358790 0.81 MME (0.43) KEAP1CES2CES1ALOX5SMN1; SMN2
SCHEMBL6032863 0.81 ALOX5 (0.44) KEAP1CES2CES1ALOX5SMN1; SMN2
SCHEMBL4398618 0.81 ALOX5 (0.41) KEAP1CES2CES1ALOX5SMN1; SMN2
SCHEMBL17724568 0.81 ALOX5 (0.41) KEAP1CES2CES1ALOX5SMN1; SMN2
SCHEMBL11027686 0.81 RORC (0.41) KEAP1CES2CES1ALOX5SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113264929-B Preparation method of tiotropium bromide 润生药业有限公司 2023-10-10 — — CN claimed
CN-113264929-A Preparation method of tiotropium bromide 润生药业有限公司 2021-08-17 — — CN claimed
CN-113264929-B Preparation method of tiotropium bromide 润生药业有限公司 2023-10-10 — — CN disclosed
EP-3214086-B1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND UBE INDUSTRIES (JP) 2021-09-22 — — EP disclosed
EP-3214086-B1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND UBE INDUSTRIES (JP) 2021-09-22 — — EP disclosed
CN-113264929-A Preparation method of tiotropium bromide 润生药业有限公司 2021-08-17 — — CN disclosed
US-10968238-B2 Substituted dihydropyrrolopyrazole compound UBE INDUSTRIES, LTD. (JP) 2021-04-06 — — US disclosed
US-10968238-B2 Substituted dihydropyrrolopyrazole compound UBE INDUSTRIES, LTD. (JP) 2021-04-06 — — US disclosed
CN-107074887-B Substituted dihydropyrrolopyrazoles 宇部兴产株式会社 2020-12-22 — — CN disclosed
US-10131679-B2 Substituted dihydropyrrolopyrazole compound UBE INDUSTRIES, LTD. (JP) 2018-11-20 — — US disclosed
WO-2017188357-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR DOSING IN COMBINATION WITH OTHER PSORIASIS TREATMENT DRUG 宇部興産株式会社 2017-11-02 — — WO disclosed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 — — US disclosed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 — — US disclosed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 — — US disclosed
WO-2010072338-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-01 — — WO disclosed
WO-2010072338-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-01 — — WO disclosed
US-20090326004-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-31 — — US disclosed
EP-2130830-A1 Muscarinic receptor antagonists Ranbaxy Laboratories Limited (IN) 2009-12-09 — — EP disclosed
US-20090221564-A1 Heterocyclic Compounds and Their Use in the Treatment of Cardiovascular Disease TRIGEN LIMITED (GB) 2009-09-03 — — US disclosed
US-20090221564-A1 Heterocyclic Compounds and Their Use in the Treatment of Cardiovascular Disease TRIGEN LIMITED (GB) 2009-09-03 — — 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-20090221564-A1 Heterocyclic Compounds and Their Use in the Treatment of Cardiovascular Disease F12, F5, F3 KEAP1 717/4885CES2 2692/4885CES1 1356/4885
US-10131679-B2 Substituted dihydropyrrolopyrazole compound QDPR, CYP2D6, DCLK3 KEAP1 2423/4885CES2 1382/4885CES1 1493/4885
US-10968238-B2 Substituted dihydropyrrolopyrazole compound QDPR, CYP2D6, KCNJ11 KEAP1 2179/4885CES2 1106/4885CES1 1355/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG KEAP1 1691/4885CES2 2164/4885CES1 2846/4885
US-20090326004-A1 MUSCARINIC RECEPTOR ANTAGONISTS LTB4R2, LTB4R, LTC4S KEAP1 1305/4885CES2 1857/4885CES1 1644/4885

“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.