SCHEMBL12373694

SCHEMBL12373694

CCn1c(C(C)NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cnc1Oc1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.39
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
S1PR3 Q99500 1/20 0.34
SCN9A Q15858 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33

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
SCHEMBL12373762 0.91 S1PR1 (0.38) S1PR1SCN9ACYP3A4CYP3A5
SCHEMBL12373677 0.89 NR3C1 (0.36) S1PR1NR3C1TP53MAPTS1PR3
SCHEMBL12373584 0.89 KAT6A (0.40) S1PR1TP53MAPTS1PR3
SCHEMBL12373538 0.89 SLC22A12 (0.40) S1PR1
SCHEMBL12373589 0.88 S1PR1 (0.40) S1PR1TP53MAPTS1PR3
SCHEMBL12373668 0.88 KMT2A (0.36) S1PR1TP53MAPTS1PR3MEN1
SCHEMBL12373565 0.88 TRIM24 (0.40) S1PR1NR3C1TP53MAPTS1PR3
SCHEMBL12373611 0.88 KAT6A (0.40) S1PR1TP53MAPTS1PR3MEN1
SCHEMBL12373759 0.86 S1PR1 (0.46) S1PR1CYP3A4CYP3A5
SCHEMBL12373738 0.84 S1PR1 (0.45) S1PR1MAPTMEN1KMT2ACYP3A4

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 1/4885NR3C1 165/4885PGR 1817/4885

“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.