SCHEMBL12373764

SCHEMBL12373764

CCn1c(C(C)NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.43
S1PR3 Q99500 1/20 0.39
PPARG P37231 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP3A5 P20815 1/20 0.34

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
SCHEMBL12373566 0.89 S1PR1 (0.40) S1PR1S1PR3ALDH1A1CYP2C19
SCHEMBL12373681 0.89 S1PR1 (0.44) S1PR1S1PR3PPARGALDH1A1
SCHEMBL12373665 0.89 S1PR1 (0.39) S1PR1S1PR3PPARGALDH1A1
SCHEMBL12373765 0.86 S1PR1 (0.45) S1PR1S1PR3ALDH1A1SMN1; SMN2CYP2C19
SCHEMBL12373526 0.86 S1PR1 (0.54) S1PR1ALDH1A1SMN1; SMN2CYP2C19CYP3A4
SCHEMBL12373517 0.85 S1PR1 (0.44) S1PR1S1PR3ALDH1A1CYP2C19
SCHEMBL12373548 0.85 S1PR1 (0.49) S1PR1S1PR3ALDH1A1SMN1; SMN2CYP2C19
SCHEMBL12373672 0.85 S1PR1 (0.45) S1PR1CYP2C19CYP3A4CYP3A5
SCHEMBL12373762 0.85 S1PR1 (0.38) S1PR1PPARGCYP3A4CYP3A5
SCHEMBL12373464 0.85 KDM4E (0.41) S1PR1S1PR3ALDH1A1

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-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 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-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885PPARG 3944/4885

“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.