SCHEMBL143837

SCHEMBL143837

COc1ccc(CCNC(=O)C(F)(F)F)cc1S(=O)(=O)Cl

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.48
ALK Q9UM73 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ABCC9 O60706 1/20 0.46
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45

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
SCHEMBL139017 0.88 CA1 (0.53) CA12CA1CA2CA9
SCHEMBL1968355 0.83 CA12 (0.66) CA12CA1CA2CA9GAA
SCHEMBL9633827 0.81 MTNR1A (0.49) ALKCA12CA1CA2CA9
SCHEMBL7273625 0.81 INSR (0.50) INSRALKCA12CA1CA2
SCHEMBL4703676 0.81 INSR (0.42) INSRALKCA12CA1CA2
SCHEMBL5010714 0.81 ALDH1A1 (0.55) GAASMN1; SMN2
SCHEMBL4703678 0.81 INSR (0.42) INSRALKCA12CA1CA2
SCHEMBL9632017 0.81 ADRA1D (0.46) ALKCA12CA1CA2CA9
SCHEMBL5913864 0.80 CA12 (0.51) CA12CA1CA2CA9GAA
SCHEMBL16416372 0.80 CA12 (0.51) CA12CA1CA2CA9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-08 US disclosed
EP-2408769-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS Glaxo Group Limited (GB) 2012-01-25 EP disclosed
WO-2010106016-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2010-09-23 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-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS DTYMK, ITK, DCK INSR 999/4885ALK 1800/4885CA12 4845/4885

“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.