SCHEMBL3424339

SCHEMBL3424339

Cc1cccn1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.59
PTGS1 P23219 5/20 0.59
ALDH1A1 P00352 1/20 0.51
CA1 P00915 9/20 0.48
CA2 P00918 9/20 0.48
CA9 Q16790 8/20 0.48
CA12 O43570 6/20 0.48
CA5A P35218 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
RECQL P46063 1/20 0.46
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL5315090 0.78 PTGS2 (0.74) PTGS2PTGS1CA1CA2CA9
SCHEMBL5308822 0.78 PTGS2 (0.74) PTGS2PTGS1CA1CA2CA9
SCHEMBL7210594 0.77 PTGS2 (0.59) PTGS2PTGS1ALDH1A1CA1CA2
SCHEMBL10059528 0.76 CA12 (0.54) PTGS2PTGS1ALDH1A1CA1CA2
SCHEMBL31538219 0.76 ALDH1A1 (0.63) PTGS2PTGS1ALDH1A1CA1CA2
SCHEMBL7212148 0.75 PTGS2 (0.76) PTGS2PTGS1ALDH1A1CA1CA2
SCHEMBL5309174 0.74 PTGS2 (1.00) PTGS2PTGS1CA1CA2CA9
SCHEMBL2463751 0.74 PTGS2 (1.00) PTGS2PTGS1CA1CA2CA9
SCHEMBL18885212 0.74 RECQL (0.46) PTGS2ALDH1A1RECQLMEN1MAPT
SCHEMBL21225813 0.73 CA12 (0.56) PTGS2PTGS1ALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2224919-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, TUMORS, AND TUMOR-RELATED DISORDERS Tragara Pharmaceuticals, Inc. (US) 2010-09-08 EP disclosed
EP-2170062-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, TUMORS, AND TUMOR-RELATED DISORDERS Tragara Pharmaceuticals, Inc. (US) 2010-04-07 EP disclosed
WO-2009070546-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, TUMORS, AND TUMOR-RELATED DISORDERS TRAGARA PHARMACEUTICALS, INC. (US) 2009-06-04 WO disclosed
WO-2009009778-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, TUMORS, AND TUMOR-RELATED DISORDERS TRAGARA PHARMACEUTICALS, INC. (US) 2009-01-15 WO disclosed
EP-1140192-B1 USE OF THE CYCLOOXYGENASE-2 INHIBITOR CELECOXIB AND CAPECITABINE FOR COMBINATION THERAPY IN NEOPLASIA SEARLE LLC (US) 2006-04-05 EP disclosed
US-20050143360-A1 Method of using a cyclooxygenase-2 inhibitor and sex steroids as a combination therapy for the treatment and prevention of dismenorrhea PHARMACIA CORPORATION 2005-06-30 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 (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-20050143360-A1 Method of using a cyclooxygenase-2 inhibitor and sex steroids as a combination therapy for the treatment and prevention of dismenorrhea PTGS2, PTGES2, PTGER2 PTGS2 1/4885PTGS1 5/4885ALDH1A1 324/4885

“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.