SCHEMBL3517591

SCHEMBL3517591

CC(=O)CNc1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
CA1 P00915 11/20 0.45
CA2 P00918 11/20 0.45
CA12 O43570 9/20 0.45
CA9 Q16790 4/20 0.45
CA7 P43166 6/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CA4 P22748 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.39
PRMT1 Q99873 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL19985755 0.81 ALDH1A1 (0.43) TDP1CA1CA2CA12CA9
SCHEMBL28865482 0.76 CA1 (0.67) TDP1CA1CA2CA12CA9
SCHEMBL58191 0.76 CA1 (0.67) TDP1CA1CA2CA12CA9
SCHEMBL4582345 0.75 MAPT (0.54) TDP1CA1CA2CA12CA9
SCHEMBL9419326 0.75 MAPT (0.54) TDP1CA1CA2CA12CA9
SCHEMBL12378828 0.75 MEN1 (0.52) CA1CA2CA12CA7ALDH1A1
Water SCHEMBL11637714 0.73 MAPT (0.52) TDP1CA1CA2CA12CA9
SCHEMBL12419484 0.73 GAA (0.48) TDP1CA1CA2CA12CA7
SCHEMBL22292620 0.73 CA1 (0.44) TDP1CA1CA2CA12CA9
SCHEMBL9136458 0.73 RAB9A (0.48) TDP1CA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US disclosed
US-20090048282-A1 PYRIMIDINE SULFONAMIDE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-19 US disclosed
EP-2004638-A1 ANILINO-PYRIMIDINE PHENYL AND BENZOTHIOPHENE ANALOGS Wyeth a Corporation of the State of Delaware (US) 2008-12-24 EP disclosed
WO-2007120593-A1 ANILINO-PYRIMIDINE PHENYL AND BENZOTHIOPHENE ANALOGS WYETH (US) 2007-10-25 WO disclosed
US-20070244140-A1 Anilino-pyrimidine phenyl and benzothiophene analogs WYETH (US) 2007-10-18 US disclosed
EP-1799652-A1 N-BENZENESULFONYL SUBSTITUTED ANILINO-PYRIMIDINE ANALOGS Wyeth (US) 2007-06-27 EP disclosed
WO-2006044457-A1 N-BENZENESULFONYL SUBSTITUTED ANILINO-PYRIMIDINE ANALOGS WYETH (US) 2006-04-27 WO disclosed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 US disclosed
WO-1996040982-A1 THERAPEUTIC INHIBITION OF PHOSPHOLIPASE A2 IN NEURODEGENERATIVE DISEASE ATHENA NEUROSCIENCES, INC. (US) 1996-12-19 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-20090048282-A1 PYRIMIDINE SULFONAMIDE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A TDP1 2824/4885CA1 4796/4885CA2 4551/4885
US-20070244140-A1 Anilino-pyrimidine phenyl and benzothiophene analogs HPRT1, APRT, NUDT1 TDP1 1225/4885CA1 4829/4885CA2 4681/4885
US-20060079543-A1 Anilino-pyrimidine analogs DPYD, TYMP, ADORA3 TDP1 298/4885CA1 4746/4885CA2 4748/4885

“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.