SCHEMBL1819992

SCHEMBL1819992

CCCS(=O)(=O)Cc1cccc(N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CYP19A1 P11511 2/20 0.42
LMNA P02545 1/20 0.40
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CCR2 P41597 4/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PRMT1 Q99873 1/20 0.38
CYP3A4 P08684 2/20 0.37
TP53 P04637 1/20 0.37
CASP1 P29466 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL13745303 0.87 MAOA (0.47) MAOAMAOBCA1CA2CA9
SCHEMBL23779534 0.85 MAOB (0.52) MAOAMAOBCA1CA2CA9
SCHEMBL29634429 0.85 MAOB (0.52) MAOAMAOBCA1CA2CA9
SCHEMBL15464302 0.83 MAOA (0.41) MAOAMAOBCA1CA2CA9
SCHEMBL3001729 0.83 MAOA (0.43) MAOAMAOBCA1CA2CA9
SCHEMBL14426934 0.81 ALDH1A1 (0.51) LMNAALDH1A1CYP3A4TP53GLA
SCHEMBL14792917 0.80 MAOB (0.57) MAOAMAOBCA1CA2CA9
SCHEMBL589307 0.80 MAOB (0.50) MAOAMAOBCA1CA2CA9
SCHEMBL30279898 0.80 MAOB (0.50) MAOAMAOBCA1CA2CA9
SCHEMBL14426942 0.79 KMT2A (0.52) LMNACYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2909183-B1 4-(ORTHO)-FLUOROPHENYL-5-FLUOROPYRIMIDIN-2-YL AMINES CONTAINING A SULFONE GROUP Bayer Pharma AG (DE) 2016-08-24 EP disclosed
EP-2909183-B1 4-(ORTHO)-FLUOROPHENYL-5-FLUOROPYRIMIDIN-2-YL AMINES CONTAINING A SULFONE GROUP Bayer Pharma AG (DE) 2016-08-24 EP disclosed
US-20150259300-A1 4-(ORTHO)-FLUOROPHENYL-5-FLUOROPYRIMIDIN-2-YL AMINES CONTAINING A SULFONE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-09-17 US disclosed
US-20150259300-A1 4-(ORTHO)-FLUOROPHENYL-5-FLUOROPYRIMIDIN-2-YL AMINES CONTAINING A SULFONE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-09-17 US disclosed
US-20150259300-A1 4-(ORTHO)-FLUOROPHENYL-5-FLUOROPYRIMIDIN-2-YL AMINES CONTAINING A SULFONE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-09-17 US disclosed
EP-2909183-A1 4-(ORTHO)-FLUOROPHENYL-5-FLUOROPYRIMIDIN-2-YL AMINES CONTAINING A SULFONE GROUP Bayer Pharma Aktiengesellschaft (DE) 2015-08-26 EP disclosed
WO-2014060376-A1 4-(ORTHO)-FLUOROPHENYL-5-FLUOROPYRIMIDIN-2-YL AMINES CONTAINING A SULFONE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-04-24 WO disclosed
WO-2014060376-A1 4-(ORTHO)-FLUOROPHENYL-5-FLUOROPYRIMIDIN-2-YL AMINES CONTAINING A SULFONE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-04-24 WO disclosed
US-8461134-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
WO-2011060196-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 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 (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-20150259300-A1 4-(ORTHO)-FLUOROPHENYL-5-FLUOROPYRIMIDIN-2-YL AMINES CONTAINING A SULFONE GROUP PAH, ABL1, OAT MAOA 150/4885MAOB 37/4885CA1 4854/4885
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD MAOA 2465/4885MAOB 301/4885CA1 4452/4885

“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.