SCHEMBL12373469

SCHEMBL12373469

CCn1c(C(C)NS(=O)(=O)c2cccc(Br)c2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.41
S1PR1 P21453 8/20 0.37
S1PR3 Q99500 1/20 0.37
MMP13 P45452 2/20 0.37
ADAMTS4 O75173 1/20 0.37
ATM Q13315 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
CNR1 P21554 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL12373523 0.92 KMT2A (0.40) S1PR1S1PR3MMP13CNR1SMN1; SMN2
SCHEMBL12373552 0.90 PGR (0.44) PGRS1PR1S1PR3CNR1MAPT
SCHEMBL12373463 0.89 MMP13 (0.41) S1PR1MMP13CNR1SMN1; SMN2
SCHEMBL12373593 0.89 S1PR1 (0.46) PGRS1PR1S1PR3KMT2A
SCHEMBL12373634 0.89 PGR (0.41) PGRS1PR1S1PR3MMP13ADAMTS4
SCHEMBL12373464 0.89 KDM4E (0.41) S1PR1S1PR3MMP13CNR1KMT2A
SCHEMBL12373566 0.88 S1PR1 (0.40) S1PR1S1PR3MMP13CNR1CYP2D6
SCHEMBL12373651 0.87 KDM2B (0.40) PGRS1PR1S1PR3MMP13SMN1; SMN2
SCHEMBL12373517 0.87 S1PR1 (0.44) S1PR1S1PR3MMP13CNR1CYP2D6
SCHEMBL12373665 0.87 S1PR1 (0.39) S1PR1S1PR3MMP13CNR1

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 PGR 1817/4885S1PR1 1/4885S1PR3 2/4885

“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.