SCHEMBL12373634

SCHEMBL12373634

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.41
S1PR1 P21453 9/20 0.41
S1PR3 Q99500 1/20 0.41
ADAMTS4 O75173 2/20 0.37
MMP13 P45452 1/20 0.37
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
KCNH2 Q12809 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SLC22A12 Q96S37 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 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
SCHEMBL12373658 0.92 S1PR1 (0.41) S1PR1S1PR3NPSR1SLC22A12
SCHEMBL12373523 0.92 KMT2A (0.40) S1PR1S1PR3MMP13
SCHEMBL12373552 0.90 PGR (0.44) PGRS1PR1S1PR3
SCHEMBL12373463 0.89 MMP13 (0.41) S1PR1MMP13MMP9
SCHEMBL12373651 0.89 KDM2B (0.40) PGRS1PR1S1PR3MMP13
SCHEMBL12373593 0.89 S1PR1 (0.46) PGRS1PR1S1PR3
SCHEMBL12373469 0.89 PGR (0.41) PGRS1PR1S1PR3ADAMTS4MMP13
SCHEMBL12373495 0.89 S1PR1 (0.43) S1PR1S1PR3ADAMTS4HTR7NPSR1
SCHEMBL12373519 0.88 S1PR1 (0.49) PGRS1PR1NPSR1
SCHEMBL12373619 0.88 S1PR1 (0.48) S1PR1S1PR3SLC22A12

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.