SCHEMBL1169732

SCHEMBL1169732

COC(=O)c1ccc(CN(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.60
MAPT P10636 3/20 0.59
BMP1 P13497 1/20 0.57
CXCR3 P49682 5/20 0.56
TAS2R14 Q9NYV8 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
DAGLA Q9Y4D2 1/20 0.52
HDAC6 Q9UBN7 1/20 0.51
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
MMP1 P03956 1/20 0.49
PTGER2 P43116 1/20 0.48

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
SCHEMBL1287296 0.92 MAPT (0.54) TP53MAPTBMP1CXCR3TAS2R14
SCHEMBL1169305 0.91 TP53 (0.70) TP53MAPTCXCR3TAS2R14MEN1
SCHEMBL1170016 0.87 PSEN1 (0.64) TP53MAPTCXCR3TAS2R14MEN1
SCHEMBL1169357 0.86 TAS2R14 (0.75) TP53CXCR3TAS2R14MEN1KMT2A
SCHEMBL1169742 0.86 TP53 (0.79) TP53MAPTCXCR3TAS2R14MEN1
SCHEMBL1169272 0.85 TAS2R14 (0.70) TP53MAPTCXCR3TAS2R14MEN1
SCHEMBL1287419 0.83 PSEN1 (0.52) TP53MAPTBMP1POLBSMN1; SMN2
SCHEMBL1675861 0.83 PSEN1 (0.52) TP53MAPTBMP1POLBSMN1; SMN2
SCHEMBL15396095 0.83 PSEN1 (0.52) TP53MAPTBMP1POLBSMN1; SMN2
SCHEMBL1168910 0.82 TAS2R14 (0.70) TP53MAPTCXCR3TAS2R14MEN1

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-20110028509-A1 Sulfonamides MERCK SERONO SA (CH) 2011-02-03 US disclosed
US-20110028509-A1 Sulfonamides MERCK SERONO SA (CH) 2011-02-03 US disclosed
US-20110028509-A1 Sulfonamides MERCK SERONO SA (CH) 2011-02-03 US disclosed
WO-2009124962-A2 SULFONAMIDES MERCK SERONO S.A. (CH) 2009-10-15 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-20110028509-A1 Sulfonamides CXCR3, CXCR2, CXCR1 TP53 1636/4885MAPT 4698/4885BMP1 4686/4885

“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.