SCHEMBL5457984

SCHEMBL5457984

CS(=O)(=O)c1ccc(Nc2cc[c]cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.43
TGM2 P21980 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TNNI3K Q59H18 1/20 0.41
PIP4K2C Q8TBX8 2/20 0.41
PIP4K2A P48426 2/20 0.41
ATM Q13315 1/20 0.40
GSK3B P49841 1/20 0.40
EGFR P00533 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39

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
SCHEMBL25667539 0.87 ENPP2 (0.54) ENPP2TGM2PIP4K2CPIP4K2AATM
SCHEMBL20194 0.80 ENPP2 (0.50) ENPP2
SCHEMBL3245767 0.79 MEN1 (0.58) ATMGSK3B
SCHEMBL28554532 0.78 SOS1 (0.56) CA12CA1CA2CA9
SCHEMBL2877698 0.78 GSK3B (0.59) GSK3BCA12CA1CA2CA9
SCHEMBL5458774 0.77 PTGS2 (0.57) PIP4K2ACA12CA1CA2CA9
SCHEMBL746134 0.77 PTGS2 (0.50) ENPP2
SCHEMBL24383402 0.76 ENPP2 (0.43) ENPP2TGM2PIP4K2CPIP4K2AATM
SCHEMBL12467721 0.75 HSD17B10 (0.44)
SCHEMBL5923820 0.74 PTGS2 (0.56) SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 US claimed

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-20070129433-A1 Diphenylamine derivatives CCNY, CHKB, CHKA ENPP2 4110/4885TGM2 3843/4885SMN1; SMN2 3996/4885

“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.