SCHEMBL1593093

SCHEMBL1593093

N=C(N)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.68
MAPT P10636 3/20 0.67
GAA P10253 2/20 0.67
KMT2A Q03164 6/20 0.67
MEN1 O00255 3/20 0.67
ALDH1A1 P00352 5/20 0.64
SMN1; SMN2 Q16637 1/20 0.61
MAPK1 P28482 1/20 0.60
EPHX2 P34913 1/20 0.60
NPC1 O15118 1/20 0.60
HTT P42858 1/20 0.59
TSHR P16473 1/20 0.58
POLB P06746 1/20 0.58

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
SCHEMBL4527453 0.86 MAPT (0.76) L3MBTL1MAPTGAAKMT2AMEN1
SCHEMBL1592638 0.84 ALDH1A1 (0.63) L3MBTL1MAPTKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL2544298 0.83 ALDH1A1 (0.62) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL6951550 0.82 GAA (0.69) L3MBTL1MAPTGAAKMT2AMEN1
SCHEMBL4075002 0.81 L3MBTL1 (1.00) L3MBTL1MAPTGAAKMT2AMEN1
SCHEMBL12490995 0.81 L3MBTL1 (0.74) L3MBTL1MAPTGAAKMT2AMEN1
SCHEMBL1592720 0.80 CNR2 (0.72) L3MBTL1MAPTALDH1A1
SCHEMBL12793245 0.79 POLB (0.88) L3MBTL1GAAKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL2542957 0.79 CNR2 (0.71) L3MBTL1MAPTALDH1A1
SCHEMBL12010889 0.79 ALDH1A1 (0.78) L3MBTL1MAPTGAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092490-A1 PYRIMIDINES, TRIAZINES AND THEIR USE AS PHARMACEUTICAL AGENTS THE UNIVERSITY OF NOTTINGHAM (GB) 2011-04-21 US disclosed
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US disclosed
WO-2009118567-A2 PYRIMIDINES, TRIAZINES AND THEIR USE AS PHARMACEUTICAL AGENTS THE UNIVERSITY OF NOTTINGHAM (GB) 2009-10-01 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

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-20070244140-A1 Anilino-pyrimidine phenyl and benzothiophene analogs HPRT1, APRT, NUDT1 L3MBTL1 1904/4885MAPT 1048/4885GAA 4527/4885
US-20060079543-A1 Anilino-pyrimidine analogs DPYD, TYMP, ADORA3 L3MBTL1 2308/4885MAPT 2684/4885GAA 4024/4885
US-20110092490-A1 PYRIMIDINES, TRIAZINES AND THEIR USE AS PHARMACEUTICAL AGENTS HRH2, HRH3, HRH4 L3MBTL1 4579/4885MAPT 4355/4885GAA 1697/4885

“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.