SCHEMBL2693716

SCHEMBL2693716

CN(C)S(=O)(=O)n1ccnc1CN(Cc1nccn1S(=O)(=O)N(C)C)S(=O)(=O)c1ccc(C=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 3/20 0.37
FGFR1 P11362 8/20 0.35
FGFR2 P21802 8/20 0.35
FGFR4 P22455 8/20 0.35
FGFR3 P22607 8/20 0.35
KDR P35968 7/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 2/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL2124334 0.82 MEN1 (0.40) KMT2AMEN1TSHRFGFR1FGFR2
SCHEMBL2695192 0.79 MEN1 (0.38) KMT2AMEN1FGFR1FGFR2FGFR4
SCHEMBL4070185 0.78 ALDH1A1 (0.38) KMT2AMEN1FGFR1FGFR2FGFR4
SCHEMBL2124123 0.77 MEN1 (0.46) KMT2AMEN1TSHRFGFR1FGFR2
SCHEMBL2127087 0.71 KCNA5 (0.36) KMT2AMEN1FGFR1FGFR2FGFR4
SCHEMBL2130710 0.71 KMT2A (0.33) KMT2AMEN1TSHRFGFR1FGFR2
SCHEMBL2126277 0.70 KDM4E (0.36) TSHRFGFR1FGFR2FGFR4FGFR3
SCHEMBL8142536 0.70 TSHR (0.48) KMT2ATSHRFGFR1FGFR2FGFR4
SCHEMBL16125136 0.69 KDM4E (0.37) TSHRFGFR1FGFR2FGFR4FGFR3
SCHEMBL4215152 0.69 SORD (0.42) TSHRFGFR1FGFR2FGFR4FGFR3

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
US-8519124-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
EP-1961744-B1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-04-17 EP disclosed
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-08-16 US disclosed
US-8168783-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-05-01 US disclosed
US-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-07-02 US disclosed
EP-1961744-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 EP 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-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF CXCR4, CXCL12, CXCR3 KMT2A 3189/4885MEN1 1493/4885TSHR 1616/4885
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR3, CXCR1 KMT2A 3359/4885MEN1 2594/4885TSHR 750/4885

“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.