SCHEMBL4164417

SCHEMBL4164417

Cc1onc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)c1Br

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.60
EDNRB P24530 2/20 0.51
EDNRA P25101 2/20 0.51
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MMP2 P08253 2/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL4164065 0.85 S1PR1 (0.60) S1PR1EDNRBEDNRAKMT2AMEN1
SCHEMBL4159021 0.79 S1PR1 (0.56) S1PR1EDNRBEDNRAMMP2
SCHEMBL4169726 0.75 S1PR1 (1.00) S1PR1KMT2A
SCHEMBL3889414 0.74 S1PR1 (0.77) S1PR1KMT2A
SCHEMBL3885555 0.74 S1PR1 (0.53) S1PR1EDNRBEDNRAKMT2AMEN1
SCHEMBL3892610 0.72 S1PR1 (0.72) S1PR1KMT2AMMP2MMP1MMP3
SCHEMBL3887084 0.70 S1PR1 (0.69) S1PR1KMT2A
SCHEMBL13875332 0.69 S1PR1 (0.60) S1PR1KMT2AMMP2MMP1MMP3
SCHEMBL13875328 0.69 S1PR1 (0.58) S1PR1MMP2
SCHEMBL7909439 0.69 CA2 (0.61) MMP2MMP1MMP3MMP7MMP9

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-20090111860-A1 SULFONAMIDE COMPOUNDS USEFUL AS ADG RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111860-A1 SULFONAMIDE COMPOUNDS USEFUL AS ADG RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111860-A1 SULFONAMIDE COMPOUNDS USEFUL AS ADG RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-30 US disclosed
WO-2007129019-A1 SULFONAMIDE COMPOUNDS USEFUL AS EDG RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-11-15 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-20090111860-A1 SULFONAMIDE COMPOUNDS USEFUL AS ADG RECEPTOR MODULATORS ADGRE5, ADGRF1, SELPLG S1PR1 677/4885EDNRB 5/4885EDNRA 4/4885

“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.