SCHEMBL5597996

SCHEMBL5597996

O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
MAPT P10636 4/20 0.63
LMNA P02545 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
MAPK1 P28482 1/20 0.63
CA2 P00918 2/20 0.61
CA1 P00915 1/20 0.61
CA12 O43570 1/20 0.60
CA9 Q16790 1/20 0.60
FFAR4 Q5NUL3 3/20 0.60
HDAC1 Q13547 3/20 0.56
HDAC8 Q9BY41 3/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ATM Q13315 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL26921582 0.84 MEN1 (0.59) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL28913958 0.84 KIF11 (0.69) MAPTSMN1; SMN2MAPK1FFAR4HDAC1
SCHEMBL7498033 0.83 CA2 (0.83) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL7570513 0.82 FFAR4 (0.64) MAPTSMN1; SMN2MAPK1CA2CA1
SCHEMBL10983646 0.82 PGR (0.55) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL693976 0.82 HSPB1 (0.55) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL6756075 0.81 FFAR4 (0.68) SMN1; SMN2CA2CA1CA12CA9
SCHEMBL28570269 0.81 FFAR4 (0.60) MAPTSMN1; SMN2MAPK1FFAR4HDAC1
SCHEMBL4596394 0.81 CA2 (0.66) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL95648 0.81 FFAR4 (0.60) MAPTSMN1; SMN2MAPK1FFAR4HDAC1

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
EP-1815860-A2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2007-08-08 EP disclosed
EP-1815860-A2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2007-08-08 EP disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-7119120-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2006-10-10 US disclosed
EP-1465638-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2004-10-13 EP disclosed
US-20040019113-A1 Phosphate transport inhibitors GELTEX PHARMACEUTICALS, INC. 2004-01-29 US disclosed
WO-2003057225-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2003-07-17 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-20040019113-A1 Phosphate transport inhibitors SLC34A1, SLC34A2, SLC20A1 MEN1 2905/4885KMT2A 4536/4885MAPT 3148/4885
US-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 MEN1 2248/4885KMT2A 4634/4885MAPT 3058/4885

“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.