SCHEMBL4164349

SCHEMBL4164349

CCc1[nH]nc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 1.00
KMT2A Q03164 1/20 0.53
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MMP2 P08253 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
CA1 P00915 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
SCHEMBL13875326 0.88 S1PR1 (0.78) S1PR1KMT2ACYP2D6CYP2C19
SCHEMBL4161985 0.85 S1PR1 (0.73) S1PR1KMT2ACYP2D6CYP2C19CA2
SCHEMBL13875327 0.83 S1PR1 (0.71) S1PR1KMT2ACYP2D6CYP2C19
SCHEMBL13875325 0.83 S1PR1 (0.71) S1PR1KMT2ACYP2D6CYP2C19MMP2
SCHEMBL4158573 0.81 S1PR1 (0.68) S1PR1MMP2
SCHEMBL13875330 0.76 S1PR1 (1.00) S1PR1KMT2ACYP2D6CYP2C19CA2
SCHEMBL4169726 0.76 S1PR1 (1.00) S1PR1KMT2ACYP2D6CYP2C19CA2
SCHEMBL3889414 0.70 S1PR1 (0.77) S1PR1KMT2ACYP2D6CYP2C19CA2
SCHEMBL13875329 0.70 S1PR1 (0.77) S1PR1KMT2ACYP2D6CYP2C19CA2
SCHEMBL14209239 0.70 S1PR1 (0.53) 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 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 677/4885KMT2A 4098/4885CYP2D6 3110/4885

“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.