SCHEMBL866410

SCHEMBL866410

O=[N+]([O-])c1ccc(OS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.71
CA2 P00918 8/20 0.71
CA9 Q16790 6/20 0.71
HTT P42858 1/20 0.59
CA12 O43570 5/20 0.53
CA7 P43166 3/20 0.52
CA14 Q9ULX7 3/20 0.52
CA3 P07451 2/20 0.52
CA4 P22748 2/20 0.52
CA6 P23280 2/20 0.52
CA5A P35218 2/20 0.52
CA13 Q8N1Q1 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
HSPB1 P04792 1/20 0.52
ALDH1A1 P00352 4/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HSP90AA1 P07900 1/20 0.50
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47

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
SCHEMBL28326326 0.92 HTT (0.66) CA1CA2CA9HTTCA12
SCHEMBL28326328 0.91 HTT (0.64) CA1CA2CA9HTTCA12
SCHEMBL7527679 0.88 CA1 (0.62) CA1CA2CA9HTTCA12
SCHEMBL28363779 0.88 CA1 (0.62) CA1CA2CA9HTTCA12
Potassium Ion SCHEMBL1902294 0.83 CA1 (0.67) CA1CA2CA9HTTCA12
SCHEMBL3519559 0.83 CA2 (1.00) CA1CA2CA9HTTCA12
SCHEMBL8690274 0.83 CA1 (0.67) CA1CA2CA9HTTCA12
SCHEMBL866411 0.83 CA1 (0.67) CA1CA2CA9HTTCA12
SCHEMBL31634023 0.83 CA1 (0.67) CA1CA2CA9HTTCA12
SCHEMBL11704991 0.83 CA1 (0.67) CA1CA2CA9HTTCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250290051-A1 MUTATED SULFOTRANSFERASES AND USES THEREOF SANOFI SA (FR) 2025-09-18 US claimed
US-20250012802-A1 SYSTEMS AND METHODS FOR PREDICTING RESPONSE TO ORAL MINOXIDIL FOR THE TREATMENT OF ANDROGENETIC ALOPECIA FOLLEA INTERNATIONAL 2025-01-09 US claimed
EP-4488388-A1 SYSTEMS AND METHODS FOR PREDICTING RESPONSE TO ORAL MINOXIDIL FOR THE TREATMENT OF ANDROGENETIC ALOPECIA Follea International (US) 2025-01-08 EP claimed
CN-119265294-A Methods and systems for predicting the response of oral minoxidil to treatment of androgenic alopecia 芙丽亚国际公司 2025-01-07 CN claimed
CN-118339282-A Use and method of sulfating a substrate with a mutated arylsulftransferase 赛诺菲 2024-07-12 CN claimed
US-20240093166-A1 ENGINEERED ARYL SULFATE-DEPENDENT ENZYMES GINKGO BIOWORKS, INC. 2024-03-21 US claimed
US-20240076634-A1 ENGINEERED ARYL SULFATE-DEPENDENT ENZYMES GINKGO BIOWORKS, INC. 2024-03-07 US claimed
US-20240002819-A1 ENGINEERED ARYL SULFATE-DEPENDENT ENZYMES GINKGO BIOWORKS, INC. 2024-01-04 US claimed
US-20230340552-A1 METHODS FOR SYNTHESIZING ANTICOAGULANT POLYSACCHARIDES GINKGO BIOWORKS, INC. 2023-10-26 US claimed
US-11773382-B2 Engineered aryl sulfate-dependent enzymes OPTIMVIA, LLC (US) 2023-10-03 US claimed
EP-2084294-A2 STERILIZATION INDICATOR American Sterilizer Company (US) 2009-08-05 EP claimed
US-20090117603-A1 STERILIZATION INDICATOR FRANCISKOVICH PHILLIP P 2009-05-07 US claimed
WO-2008082728-A2 STERILIZATION INDICATOR AMERICAN STERILIZER COMPANY (US) 2008-07-10 WO claimed
WO-2008079469-A2 GENETICALLY ENGINEERED BIOLOGICAL INDICATOR AMERICAN STERILIZER COMPANY (US) 2008-07-03 WO claimed
US-20080070231-A1 Reporter genes taken up by microorganism, and repressor gene inhibits expression AMERICAN STERILIZER COMPANY 2008-03-20 US claimed
US-20080070272-A1 STERILIZATION INDICATOR AMERICAN STERILIZER COMPANY 2008-03-20 US claimed
US-20050255562-A1 Methods for synthesis of sulfated saccharides NATIONAL INSTITUTES OF HEALTH 2005-11-17 US claimed
US-6255088-B1 Enzymatic sulfation of biomolecules THE SCRIPPS RESEARCH INSTITUTE 2001-07-03 US claimed
EP-1005098-A2 Alkali metal electrochemical cell having an improved cathode activated with a nonaqueous electrolyte having a passivation inhibitor additive WILSON GREATBATCH LTD. (US) 2000-05-31 EP claimed
US-5500668-A INK JET PRINTING XEROX CORPORATION (US) 1996-03-19 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20230340552-A1 METHODS FOR SYNTHESIZING ANTICOAGULANT POLYSACCHARIDES CSGALNACT1, NANS, STS CA1 1261/4885CA2 1650/4885CA9 776/4885

“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.