SCHEMBL3300843

SCHEMBL3300843

CCN(CC)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
VDR P11473 1/20 0.41
TLR9 Q9NR96 1/20 0.41
CNR2 P34972 3/20 0.41
MAPT P10636 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL8616626 0.87 CA12 (0.39) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL28907962 0.83 ESR1 (0.50) GAACA1CA2CA12CA9
SCHEMBL9156246 0.79 C5AR1 (0.51) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1157467 0.78 GAA (0.50) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL11785830 0.78 POLB (0.47) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL28239200 0.75 APP (0.40) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2259118 0.74 GAA (0.46) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL76249 0.74 GAA (0.50) GAAALDH1A1CYP3A4CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL3808344 0.72 GAA (0.48) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL5412223 0.72 GAA (0.48) GAAALDH1A1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108779356-A ink 富士胶片株式会社 2018-11-09 CN disclosed
US-8629287-B2 Process for the sulfinylation of a pyrazole derivative BASF SE (DE) 2014-01-14 US disclosed
EP-2081908-B1 PROCESS FOR THE SULFINYLATION OF A PYRAZOLE DERIVATIVE BASF AGRO B V ARNHEM NL ZUERICH BRANCH (CH) 2013-04-24 EP disclosed
EP-2081909-B1 PROCESS FOR THE SULFINYLATION OF A PYRAZOLE DERIVATIVE BASF SE (DE) 2013-01-09 EP disclosed
US-20120309806-A1 Process for the Sulfinylation of a Pyrazole Derivative BASF SE (DE) 2012-12-06 US disclosed
CN-102746234-A Process for the sulfinylation of a pyrazole derivative BASF SE 2012-10-24 CN disclosed
CN-102746233-A Process for the sulfinylation of a pyrazole derivative BASF SE 2012-10-24 CN disclosed
US-8263783-B2 Process for the sulfinylation of a pyrazole derivative BASF SE (DE) 2012-09-11 US disclosed
US-20100137395-A1 Process for the Sulfinylation of a Pyrazole Derivative BASF SE (DE) 2010-06-03 US disclosed
US-20100093822-A1 Process for the Sulfinylation of a Pyrazole Derivative BASF SE (DE) 2010-04-15 US disclosed
CN-101583602-A Process for the sulfinylation of pyrazole derivatives BASF SE (DE) 2009-11-18 CN disclosed
CN-101578270-A Process for the sulfinylation of pyrazole derivatives BASF SE (DE) 2009-11-11 CN disclosed
EP-2081909-A1 PROCESS FOR THE SULFINYLATION OF A PYRAZOLE DERIVATIVE BASF SE (DE) 2009-07-29 EP disclosed
EP-2081908-A1 PROCESS FOR THE SULFINYLATION OF A PYRAZOLE DERIVATIVE BASF SE (DE) 2009-07-29 EP disclosed
WO-2008055879-A1 PROCESS FOR THE SULFINYLATION OF A PYRAZOLE DERIVATIVE BASF SE (DE) 2008-05-15 WO disclosed
WO-2008055877-A1 PROCESS FOR THE SULFINYLATION OF A PYRAZOLE DERIVATIVE BASF SE (DE) 2008-05-15 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 (3 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-20100093822-A1 Process for the Sulfinylation of a Pyrazole Derivative STS, SFXN3, ARSA GAA 3514/4885ALDH1A1 725/4885CYP3A4 632/4885
US-20120309806-A1 Process for the Sulfinylation of a Pyrazole Derivative STS, SULT1A1, SULT2A1 GAA 3477/4885ALDH1A1 322/4885CYP3A4 408/4885
US-20100137395-A1 Process for the Sulfinylation of a Pyrazole Derivative STS, SULT1A1, SULT2A1 GAA 3353/4885ALDH1A1 297/4885CYP3A4 493/4885

“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.