SCHEMBL3449381

SCHEMBL3449381

CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.85
CYP2C19 P33261 2/20 0.68
CYP2D6 P10635 1/20 0.66

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
SCHEMBL13497573 0.92 S1PR1 (1.00) S1PR1CYP2C19
SCHEMBL3450719 0.92 S1PR1 (1.00) S1PR1CYP2C19
SCHEMBL3450727 0.92 S1PR1 (1.00) S1PR1CYP2C19
SCHEMBL3448572 0.86 S1PR1 (0.68) S1PR1CYP2C19CYP2D6
SCHEMBL3451470 0.85 S1PR1 (0.77) S1PR1CYP2C19CYP2D6
SCHEMBL3450067 0.85 S1PR1 (0.75) S1PR1CYP2C19CYP2D6
SCHEMBL3448905 0.85 S1PR1 (0.73) S1PR1CYP2C19CYP2D6
SCHEMBL3449368 0.84 S1PR1 (0.72) S1PR1CYP2C19CYP2D6
SCHEMBL3449459 0.84 S1PR1 (0.88) S1PR1CYP2C19CYP2D6
SCHEMBL3449814 0.83 S1PR1 (0.80) S1PR1CYP2C19CYP2D6

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 800/4885CYP2C19 2874/4885CYP2D6 1677/4885

“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.