SCHEMBL3449082

SCHEMBL3449082

CC(NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccccc2n1C1CC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.67
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
TP53 P04637 1/20 0.47

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
SCHEMBL3451703 0.83 S1PR1 (0.73) S1PR1CYP2D6CYP2C19
SCHEMBL3451309 0.82 S1PR1 (0.76) S1PR1CYP2D6CYP2C19
SCHEMBL13497568 0.80 S1PR1 (1.00) S1PR1CYP2D6CYP2C19
SCHEMBL3451375 0.79 S1PR1 (0.82) S1PR1CYP2D6CYP2C19
SCHEMBL3449680 0.78 S1PR1 (0.84) S1PR1CYP2D6CYP2C19
SCHEMBL3448552 0.77 S1PR1 (0.77) S1PR1CYP2D6CYP2C19
SCHEMBL12249712 0.75 S1PR1 (0.52) S1PR1CYP2D6CYP2C19
SCHEMBL18250316 0.73 TP53 (0.67) CYP2D6TP53
SCHEMBL3450224 0.72 S1PR1 (0.80) S1PR1CYP2D6CYP2C19
SCHEMBL3450493 0.71 S1PR1 (0.86) S1PR1CYP2D6CYP2C19

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-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2010-02-04 US disclosed
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2010-02-04 US disclosed
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2010-02-04 US disclosed
WO-2008056150-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-I ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2008-05-15 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-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY EDF1, ERLIN1, ECE1 S1PR1 800/4885CYP2D6 1677/4885CYP2C19 2874/4885

“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.