SCHEMBL1169722

SCHEMBL1169722

N#Cc1ccc(CN(Cc2ccc(F)cc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 4/20 0.53
CXCR3 P49682 10/20 0.52
NR1H2 P55055 2/20 0.52
PSEN1 P49768 3/20 0.48
PSEN2 P49810 3/20 0.48
APH1B Q8WW43 3/20 0.48
NCSTN Q92542 3/20 0.48
APH1A Q96BI3 3/20 0.48
PSENEN Q9NZ42 3/20 0.48
NR1H3 Q13133 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL12863751 0.93 CXCR3 (0.54) TAS2R14CXCR3NR1H2PSEN1PSEN2
SCHEMBL1169495 0.91 NR1H2 (0.63) TAS2R14CXCR3NR1H2PSEN1PSEN2
SCHEMBL1169299 0.89 CXCR3 (0.56) TAS2R14CXCR3NR1H2PSEN1PSEN2
SCHEMBL1169691 0.89 CXCR3 (0.58) TAS2R14CXCR3PSEN1PSEN2APH1B
SCHEMBL1169800 0.87 CXCR3 (0.67) TAS2R14CXCR3NR1H2PSEN1PSEN2
SCHEMBL1169552 0.85 TAS2R14 (0.64) TAS2R14CXCR3PSEN1PSEN2APH1B
SCHEMBL1169325 0.82 CXCR3 (0.58) TAS2R14CXCR3NR1H2PSEN1PSEN2
SCHEMBL1169971 0.81 TAS2R14 (0.55) TAS2R14CXCR3NR1H2PSEN1PSEN2
SCHEMBL1169226 0.80 TAS2R14 (0.59) TAS2R14CXCR3NR1H2PSEN1PSEN2
SCHEMBL1169773 0.78 CXCR3 (0.60) TAS2R14CXCR3PSEN1PSEN2APH1B

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-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

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 TAS2R14 517/4885CXCR3 1/4885NR1H2 223/4885

“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.