SCHEMBL2790643

SCHEMBL2790643

O=S(=O)(O)C(O)C(O)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA5A P35218 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
TSHR P16473 3/20 0.36
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
NT5E P21589 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9744121 0.96 CA5A (0.39) CA5ACA5BTSHRCA2CA1
SCHEMBL14355508 0.84 CA5A (0.36) CA5ACA5BTSHRCA2CA1
SCHEMBL3144289 0.78
SCHEMBL3136153 0.78
SCHEMBL12164283 0.78
SCHEMBL3145313 0.78
SCHEMBL14355488 0.78
SCHEMBL20853612 0.78
SCHEMBL15203837 0.78
SCHEMBL380314 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120195929-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2012-08-02 US claimed
WO-2010141883-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2010-12-09 WO claimed
US-5124438-A Reacting with chlorine and sulfonate BASF AKTIENGESELLSCHAFT (DE) 1992-06-23 US claimed
EP-3077438-B1 POLYURETHANES HAVING REDUCED EMISSIONS OF ALDEHYDE BASF SE (DE) 2018-03-07 EP disclosed
US-9365545-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2016-06-14 US disclosed
US-20150336931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC 2015-11-26 US disclosed
US-9108921-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2015-08-18 US disclosed
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC (US) 2014-09-25 US disclosed
WO-2014139144-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 WO disclosed
US-20130030179-A1 PROCESS FOR THE PREPARATION OF VARENICLINE DIPHARMA FRANCIS S.R.L. (IT) 2013-01-31 US disclosed
US-20120195929-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2012-08-02 US disclosed
EP-0382054-B1 Chemically modified proteins BASF AG (DE) 1995-04-26 EP disclosed
US-5124438-A Reacting with chlorine and sulfonate BASF AKTIENGESELLSCHAFT (DE) 1992-06-23 US disclosed
EP-0382054-A2 Chemically modified proteins BASF Aktiengesellschaft (DE) 1990-08-16 EP disclosed
EP-0175364-B1 PROCESS FOR THE PREPARATION OF ALPHA-BETA-DIAMINOACRYLNITRILES BASF Aktiengesellschaft (DE) 1990-06-06 EP disclosed
US-4880934-A Preparation of hydroxyalkylpiperazinones by reacting a 2,3-dihydroxy-1,4-dioxane with a hydroalkyldiamine THE DOW CHEMICAL COMPANY (US) 1989-11-14 US disclosed
US-4814443-A Preparation of hydroxyalkylpiperazinones by reacting glyoxal with hydroxyalkyldiamines THE DOW CHEMICAL COMPANY (US) 1989-03-21 US disclosed
US-4734499-A Preparation of α,β-diaminoacrylonitriles BASF AKTIENGESELLSCHAFT (DE) 1988-03-29 US disclosed
EP-0175364-A2 Process for the preparation of alpha-beta-diaminoacrylnitriles BASF Aktiengesellschaft (DE) 1986-03-26 EP disclosed
US-4216163-A SEQUESTERING AGENTS BENCKISER-KNAPSACK GMBH (DE) 1980-08-05 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 (4 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-20120195929-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME HLA-DRB1, MICA, CD74 CA5A 295/4885CA5B 145/4885TSHR 2035/4885
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 CA5A 356/4885CA5B 576/4885TSHR 3332/4885
US-20150336931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 CA5A 356/4885CA5B 576/4885TSHR 3332/4885
US-20130030179-A1 PROCESS FOR THE PREPARATION OF VARENICLINE NOX4, SMOX, CYP3A7 CA5A 429/4885CA5B 213/4885TSHR 2857/4885

“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.