SCHEMBL1487076

SCHEMBL1487076

O=Cc1ccc(S(=O)(=O)O)o1.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.49
ALDH1A1 P00352 7/20 0.44
TSHR P16473 1/20 0.44
CA2 P00918 3/20 0.42
KDM4E B2RXH2 6/20 0.40
GAA P10253 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
POLB P06746 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
MYC P01106 1/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
CYP2E1 P05181 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
SCHEMBL511774 0.98 CA1 (0.50) CA1ALDH1A1TSHRCA2KDM4E
SCHEMBL11708793 0.96 CA1 (0.49) CA1ALDH1A1TSHRCA2KDM4E
SCHEMBL8731415 0.77 ALDH1A1 (0.53) CA1ALDH1A1TSHRCA2KDM4E
SCHEMBL5089061 0.77 GAA (0.45) CA1ALDH1A1TSHRKDM4EGAA
SCHEMBL13826361 0.77 CA1 (0.46) CA1ALDH1A1TSHRCA2KDM4E
SCHEMBL3868759 0.76 ALDH1A1 (0.50) CA1ALDH1A1TSHRCA2KDM4E
Potassium Ion SCHEMBL11708784 0.75 ALDH1A1 (0.43) CA1ALDH1A1TSHRCA2KDM4E
SCHEMBL1487077 0.75 CA12 (0.47) CA1ALDH1A1TSHRCA2KDM4E
SCHEMBL7758331 0.75 CA1 (0.45) CA1CA2KDM4EMYCMEN1
SCHEMBL7672301 0.73 CA1 (0.45) CA1ALDH1A1TSHRCA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722883-B2 Pyrimidine sulphonamide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2014-05-13 US disclosed
EP-1809624-B1 PYRIMIDINE SULPHONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-11-20 EP disclosed
US-20130203991-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators ASTRAZENECA R&D ALDERLY PARK (GB) 2013-08-08 US disclosed
US-8410123-B2 Pyrimidine sulphonamide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2013-04-02 US disclosed
US-20130012490-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2013-01-10 US disclosed
US-8269002-B2 Pyrimidine sulphonamide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2012-09-18 US disclosed
US-20120157431-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2012-06-21 US disclosed
US-20110124619-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2011-05-26 US disclosed
EP-2311827-A1 Thiopyrimidine derivative, useful as an intermediate for chemokine receptor modulators. AstraZeneca AB (SE) 2011-04-20 EP disclosed
EP-2301933-A1 Thiopyrimidine derivative, useful as an intermediate for chemokine receptor modulators AstraZeneca AB (SE) 2011-03-30 EP disclosed
WO-1998003496-A1 FURAN NITRONE COMPOUNDS CENTAUR PHARMACEUTICALS, INC. (US) 1998-01-29 WO disclosed
EP-0819977-A1 Oxonol compound, silver halide photographic material and process for the synthesis of oxonol compound FUJI PHOTO FILM CO., LTD. (JP) 1998-01-21 EP disclosed
US-5272050-A Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1993-12-21 US disclosed
EP-0331011-B1 POLYACRYLATE DISPERSIONS PREPARED WITH A WATER-SOLUBLE CONJUGATED UNSATURATED MONOMER IN THE ABSENCE OF A PROTECTIVE COLLOID HERCULES INCORPORATED (US) 1993-01-13 EP disclosed
US-4997877-A Acrylic sulfonate-type polymers HERCULES INCORPORATED (US) 1991-03-05 US disclosed
EP-0331011-A1 Polyacrylate dispersions prepared with a water-soluble conjugated unsaturated monomer in the absence of a protective colloid HERCULES INCORPORATED (US) 1989-09-06 EP disclosed
US-4091213-A 7-Cyclizedamino-3-heterothiomethyl cephalosporin derivatives BRISTOL-MYERS COMPANY (US) 1978-05-23 US disclosed
US-4064345-A ANTIBIOTIC BRISTOL-MYERS COMPANY (US) 1977-12-20 US disclosed
US-4035381-A AMPICILLIN, AMOXICILLIN, 5-FORMYL-2-FURANSULFONIC ACID BRISTOL-MYERS COMPANY (US) 1977-07-12 US disclosed
US-4026888-A ANTIBIOTICS, BACTERICIDES BRISTOL-MYERS COMPANY (US) 1977-05-31 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-20120157431-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 CA1 3243/4885ALDH1A1 2139/4885TSHR 1859/4885
US-20110124619-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 CA1 3243/4885ALDH1A1 2139/4885TSHR 1859/4885
US-20130203991-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 CA1 3243/4885ALDH1A1 2139/4885TSHR 1859/4885
US-20130012490-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 CA1 3190/4885ALDH1A1 1919/4885TSHR 1867/4885

“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.