SCHEMBL378265

SCHEMBL378265

Cc1ccc(S(=O)(=O)OCc2c(F)cc(Br)cc2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.37
STAT3 P40763 2/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
ALDH1A1 P00352 4/20 0.35
GAA P10253 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR6 P50406 1/20 0.35
CA2 P00918 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL10252332 0.83 PTGS2 (0.36) PTGS2PTGS1STAT3KMT2AMEN1
SCHEMBL26970921 0.80 ALDH1A1 (0.36) PTGS2PTGS1STAT3KMT2AMEN1
SCHEMBL776071 0.80 CA1 (0.45) STAT3KMT2AMEN1CA1CA9
SCHEMBL464388 0.77 MEN1 (0.43) STAT3KMT2AMEN1CA1CA9
SCHEMBL7909564 0.75 CA2 (0.54) STAT3KMT2AMEN1CA1CA9
SCHEMBL21407644 0.74 CA1 (0.45) STAT3KMT2AMEN1CA1CA9
SCHEMBL25462640 0.73 PSEN1 (0.46) PTGS2PTGS1KMT2AMEN1ALDH1A1
SCHEMBL29051355 0.73 PTGS2 (0.39) PTGS2PTGS1ALDH1A1GAALMNA
SCHEMBL17468133 0.73 CA12 (0.35) PTGS2PTGS1STAT3KMT2AMEN1
SCHEMBL778393 0.73 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371298-B2 Processes for the preparation of isothiazole derivatives PFIZER INC. (US) 2016-06-21 US disclosed
US-9371298-B2 Processes for the preparation of isothiazole derivatives PFIZER INC. (US) 2016-06-21 US disclosed
US-9371298-B2 Processes for the preparation of isothiazole derivatives PFIZER INC. (US) 2016-06-21 US disclosed
US-20150065726-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER INC. 2015-03-05 US disclosed
US-20150065726-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER INC. 2015-03-05 US disclosed
US-20150065726-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER INC. 2015-03-05 US disclosed
US-8884025-B2 Processes for the preparation of isothiazole derivatives PFIZER INC. 2014-11-11 US disclosed
US-8884025-B2 Processes for the preparation of isothiazole derivatives PFIZER INC. 2014-11-11 US disclosed
US-8884025-B2 Processes for the preparation of isothiazole derivatives PFIZER INC. 2014-11-11 US disclosed
EP-1784183-B1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER (US) 2012-01-25 EP disclosed
US-20090023924-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER INC. 2009-01-22 US disclosed
US-20090023924-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER INC. 2009-01-22 US disclosed
US-20090023924-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER INC. 2009-01-22 US disclosed
EP-1784183-A2 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES Pfizer Products Incorporated (US) 2007-05-16 EP disclosed
WO-2006026034-A2 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2006-03-09 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 (2 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-20090023924-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES CYP3A4, CYP3A43, CYP2F1 PTGS2 2240/4885PTGS1 1111/4885STAT3 2239/4885
US-20150065726-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES CYP3A4, CYP3A43, CYP2F1 PTGS2 2437/4885PTGS1 1373/4885STAT3 1737/4885

“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.