SCHEMBL15533302

SCHEMBL15533302

O=C(Cl)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.64
NAMPT P43490 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CNR2 P34972 1/20 0.47
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TRPV1 Q8NER1 3/20 0.43
ALDH3A1 P30838 1/20 0.42
PRMT1 Q99873 1/20 0.42
ABCC9 O60706 1/20 0.42

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
SCHEMBL9083215 0.85 KIF11 (0.68) KIF11NAMPTKMT2AMEN1CA12
SCHEMBL3711978 0.84 KIF11 (0.66) KIF11NAMPTKMT2AMEN1CA12
SCHEMBL5786861 0.82 SMN1; SMN2 (0.65) KIF11KMT2AMEN1CA12CA1
SCHEMBL11400698 0.79 PRMT1 (0.63) NAMPTKMT2AMEN1CA12CA1
SCHEMBL5434550 0.78 KIF11 (1.00) KIF11NAMPTKMT2AMEN1CA12
SCHEMBL7930552 0.78 KIF11 (0.59) KIF11NAMPTKMT2AMEN1CA12
SCHEMBL9083538 0.78 KIF11 (0.55) KIF11NAMPTKMT2ACA12CA1
SCHEMBL6000350 0.77 CA1 (0.61) KIF11KMT2AMEN1CA12CA1
SCHEMBL7534693 0.76 TGM2 (0.61)
SCHEMBL4537301 0.76 KIF11 (0.47) KIF11NAMPTKMT2AMEN1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181261-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2015-11-10 US disclosed
US-20150141428-A1 TrkA Kinase Inhibitors, Compositions and Methods Thereof MERCK SHARP & DOHME CORP. (US) 2015-05-21 US disclosed
EP-2858501-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF Merck Sharp & Dohme Corp. (US) 2015-04-15 EP disclosed
WO-2013176970-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2013-11-28 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 (1 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-20150141428-A1 TrkA Kinase Inhibitors, Compositions and Methods Thereof NGF, NGFR, NTRK1 KIF11 3045/4885NAMPT 1524/4885KMT2A 4012/4885

“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.