SCHEMBL2592828

SCHEMBL2592828

COc1ccc2c(c1)nc([S+]([O-])Cc1ncc(C)c(OC)c1C)n2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 1/20 0.45
BRS3 P32247 2/20 0.44
ALDH1A1 P00352 4/20 0.43
WDR5 P61964 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
CYP2C9 P11712 2/20 0.43
ATP1A1 P05023 2/20 0.43
ATP1B1 P05026 2/20 0.43
ATP1A3 P13637 2/20 0.43
ATP1B2 P14415 2/20 0.43
ATP4A P20648 2/20 0.43
ATP1A2 P50993 2/20 0.43
ATP4B P51164 2/20 0.43
ATP1B3 P54709 2/20 0.43
FXYD2 P54710 2/20 0.43
ATP1A4 Q13733 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43

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
SCHEMBL21029237 1.00 KMT2A (0.45) KMT2AMEN1BRS3ALDH1A1WDR5
SCHEMBL14344286 1.00 KMT2A (0.45) KMT2AMEN1BRS3ALDH1A1WDR5
SCHEMBL12021142 0.92 BRS3 (0.46) KMT2AMEN1BRS3ALDH1A1WDR5
SCHEMBL13019030 0.91 AGXT (0.38) KMT2AMEN1BRS3ALDH1A1WDR5
SCHEMBL3386628 0.89 KMT2A (0.44) KMT2AMEN1BRS3ALDH1A1WDR5
SCHEMBL18710710 0.89 KMT2A (0.44) KMT2AMEN1BRS3ALDH1A1WDR5
SCHEMBL3386622 0.89 KMT2A (0.44) KMT2AMEN1BRS3ALDH1A1WDR5
Omeprazole Magnesium SCHEMBL30206693 0.88 KMT2A (0.46) KMT2AMEN1BRS3ALDH1A1WDR5
SCHEMBL29474363 0.88 KMT2A (0.43) KMT2AMEN1BRS3ALDH1A1WDR5
SCHEMBL7844981 0.87 KMT2A (0.43) KMT2AMEN1BRS3ALDH1A1WDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112255352-B Method for detecting related substances of esomeprazole sodium for injection 海南卫康制药(潜山)有限公司 2022-10-14 CN claimed
WO-2011140446-A2 PHARMACEUTICAL FORMULATIONS DR. REDDY'S LABORATORIES LTD. (IN) 2011-11-10 WO claimed
US-20240238264-A1 INHIBITORS OF SARM1 NADASE ACTIVITY AND USES THEREOF DISARM THERAPEUTICS, INC. 2024-07-18 US disclosed
US-20240238264-A1 INHIBITORS OF SARM1 NADASE ACTIVITY AND USES THEREOF DISARM THERAPEUTICS, INC. 2024-07-18 US disclosed
US-20240238264-A1 INHIBITORS OF SARM1 NADASE ACTIVITY AND USES THEREOF DISARM THERAPEUTICS, INC. 2024-07-18 US disclosed
US-11903935-B2 Inhibitors of SARM1 NADase activity and uses thereof WASHINGTON UNIVERSITY (US) 2024-02-20 US disclosed
CN-112229920-B Method for detecting potential genotoxic impurities of esomeprazole sodium 海南中玉药业有限公司 2022-10-21 CN disclosed
CN-112255352-B Method for detecting related substances of esomeprazole sodium for injection 海南卫康制药(潜山)有限公司 2022-10-14 CN disclosed
US-11253503-B2 Inhibitors of SARM1 NADase activity and uses thereof WASHINGTON UNIVERSITY (US) 2022-02-22 US disclosed
US-11253503-B2 Inhibitors of SARM1 NADase activity and uses thereof WASHINGTON UNIVERSITY (US) 2022-02-22 US disclosed
US-20220040164-A1 INHIBITORS OF SARM1 NADASE ACTIVITY AND USES THEREOF DISARM THERAPEUTICS, INC. 2022-02-10 US disclosed
US-20200129493-A1 INHIBITORS OF SARM1 NADASE ACTIVITY AND USES THEREOF WASHINGTON UNIVERSITY (US) 2020-04-30 US disclosed
WO-2018057989-A1 INHIBITORS OF SARM1 NADase ACTIVITY AND USES THEREOF WASHINGTON UNIVERSITY (US) 2018-03-29 WO disclosed
US-20110293713-A1 PHARMACEUTICAL FORMULATIONS COMPRISING NSAID AND PROTON PUMP INHIBITOR DRUGS DR. REDDY'S LABORATORIES, INC. 2011-12-01 US disclosed
US-20110293713-A1 PHARMACEUTICAL FORMULATIONS COMPRISING NSAID AND PROTON PUMP INHIBITOR DRUGS DR. REDDY'S LABORATORIES, INC. 2011-12-01 US disclosed
US-20110293713-A1 PHARMACEUTICAL FORMULATIONS COMPRISING NSAID AND PROTON PUMP INHIBITOR DRUGS DR. REDDY'S LABORATORIES, INC. 2011-12-01 US disclosed
WO-2011140446-A2 PHARMACEUTICAL FORMULATIONS DR. REDDY'S LABORATORIES LTD. (IN) 2011-11-10 WO disclosed
EP-2345408-A2 Acid labile drug formulations Dr. Reddy's Laboratories Ltd. (IN) 2011-07-20 EP disclosed
US-20070293682-A1 Methods of Preparing Sulfinamides and Sulfoxides APSINTERM, LLC 2007-12-20 US disclosed
US-7256297-B2 Methods of preparing sulfinamides and sulfoxides APSINTERM, LLC. (US) 2007-08-14 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 (7 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-11903935-B2 Inhibitors of SARM1 NADase activity and uses thereof SARM1, NADK, NNMT KMT2A 2098/4885MEN1 3371/4885BRS3 4538/4885
US-20070293682-A1 Methods of Preparing Sulfinamides and Sulfoxides STS, TST, CBS KMT2A 1066/4885MEN1 1917/4885BRS3 2544/4885
US-20200129493-A1 INHIBITORS OF SARM1 NADASE ACTIVITY AND USES THEREOF SARM1, NADK, NNMT KMT2A 2098/4885MEN1 3371/4885BRS3 4538/4885
US-20240238264-A1 INHIBITORS OF SARM1 NADASE ACTIVITY AND USES THEREOF SARM1, NADK, NNMT KMT2A 2098/4885MEN1 3371/4885BRS3 4538/4885
US-20220040164-A1 INHIBITORS OF SARM1 NADASE ACTIVITY AND USES THEREOF SARM1, NADK, NNMT KMT2A 2098/4885MEN1 3371/4885BRS3 4538/4885
US-20110293713-A1 PHARMACEUTICAL FORMULATIONS COMPRISING NSAID AND PROTON PUMP INHIBITOR DRUGS PGA5, HPGD, NNT KMT2A 4457/4885MEN1 4429/4885BRS3 404/4885
US-11253503-B2 Inhibitors of SARM1 NADase activity and uses thereof SARM1, NADK, NNMT KMT2A 2098/4885MEN1 3371/4885BRS3 4538/4885

“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.