SCHEMBL3312974

SCHEMBL3312974

CCCCCN(N)S(N)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.46
CA1 P00915 12/20 0.46
CA12 O43570 4/20 0.46
CA14 Q9ULX7 4/20 0.46
CA9 Q16790 8/20 0.41
CA7 P43166 3/20 0.40
CA3 P07451 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
DNM1 Q05193 3/20 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
SCHEMBL15662298 0.82
SCHEMBL26318922 0.81 DNM1 (0.39) CA2CA1CA12CA14CA9
SCHEMBL11036549 0.79 TP53 (0.42) CA2CA1CA12CA14CA9
SCHEMBL293336 0.78 CA2 (0.68) CA2CA1CA12CA14CA9
SCHEMBL25129256 0.76 CA2 (0.65) CA2CA1CA12CA14CA9
SCHEMBL15546426 0.76 CA2 (0.65) CA2CA1CA12CA14CA9
SCHEMBL3790104 0.76 CA2 (0.65) CA2CA1CA12CA14CA9
SCHEMBL23319282 0.76 CA2 (0.65) CA2CA1CA12CA14CA9
SCHEMBL3793002 0.76 CA2 (0.65) CA2CA1CA12CA14CA9
SCHEMBL291781 0.76 CA2 (0.46) CA2CA1CA12CA14CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4150623-A2 METHODS AND SYSTEMS FOR MACHINE LEARNING ANALYSIS OF SINGLE NUCLEOTIDE POLYMORPHISMS IN LUPUS Ampel Biosolutions, LLC (US) 2023-03-22 EP disclosed
WO-2021231713-A2 METHODS AND SYSTEMS FOR MACHINE LEARNING ANALYSIS OF SINGLE NUCLEOTIDE POLYMORPHISMS IN LUPUS AMPEL BIOSOLUTIONS, LLC (US) 2021-11-18 WO disclosed
EP-3881233-A1 MACHINE LEARNING DISEASE PREDICTION AND TREATMENT PRIORITIZATION Ampel Biosolutions, LLC (US) 2021-09-22 EP disclosed
US-20210104321-A1 MACHINE LEARNING DISEASE PREDICTION AND TREATMENT PRIORITIZATION UNITED BANK 2021-04-08 US disclosed
WO-2020102043-A1 MACHINE LEARNING DISEASE PREDICTION AND TREATMENT PRIORITIZATION AMPEL BIOSOLUTIONS, LLC (US) 2020-05-22 WO disclosed
US-7718652-B2 Substituted benzothiadiazinedioxide derivatives and methods of their use WYETH LLC (US) 2010-05-18 US disclosed
US-20080161295-A1 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US disclosed
WO-2008073958-A2 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 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 (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-20080161295-A1 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A2, SLC6A4, DBH CA2 3013/4885CA1 3579/4885CA12 4053/4885

“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.