SCHEMBL13875331

SCHEMBL13875331

CC#Cc1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nsc1C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.56
KMT2A Q03164 1/20 0.39
MMP2 P08253 4/20 0.38
MMP1 P03956 2/20 0.38
MMP3 P08254 2/20 0.38
MMP7 P09237 2/20 0.38
MMP9 P14780 2/20 0.38
MMP13 P45452 2/20 0.38
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL13875350 0.87 S1PR1 (0.57) S1PR1KMT2AMMP2MMP1MMP3
SCHEMBL13875332 0.81 S1PR1 (0.60) S1PR1KMT2AMMP2MMP1MMP3
SCHEMBL13875345 0.75 S1PR1 (0.72) S1PR1KMT2AMMP2MMP1MMP3
SCHEMBL13875330 0.71 S1PR1 (1.00) S1PR1KMT2ACA2CYP2D6CYP2C19
SCHEMBL13875329 0.71 S1PR1 (0.77) S1PR1KMT2ACA2CYP2D6CYP2C19
SCHEMBL4170249 0.70 S1PR1 (0.53) S1PR1KMT2AMMP2MMP1MMP3
SCHEMBL4164417 0.66 S1PR1 (0.60) S1PR1KMT2AMMP2MMP1MMP3
SCHEMBL4164065 0.66 S1PR1 (0.60) S1PR1KMT2AMMP2MMP1MMP3
SCHEMBL7909439 0.65 CA2 (0.61) MMP2MMP1MMP3MMP7MMP9
SCHEMBL4165318 0.65 S1PR1 (0.59) S1PR1KMT2ACYP2D6CYP2C19

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-20090111860-A1 SULFONAMIDE COMPOUNDS USEFUL AS ADG RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-30 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-20090111860-A1 SULFONAMIDE COMPOUNDS USEFUL AS ADG RECEPTOR MODULATORS ADGRE5, ADGRF1, SELPLG S1PR1 677/4885KMT2A 4098/4885MMP2 3625/4885

“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.