SCHEMBL12373799

SCHEMBL12373799

CCn1c(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cnc1Oc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.49
S1PR1 P21453 14/20 0.45
S1PR3 Q99500 1/20 0.42
PGR P06401 1/20 0.40
GNRHR P30968 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.37

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
SCHEMBL12373809 0.97 S1PR1 (0.49) NPSR1S1PR1S1PR3PGRGNRHR
SCHEMBL12373821 0.94 S1PR1 (0.53) NPSR1S1PR1S1PR3
SCHEMBL12373804 0.94 S1PR1 (0.48) NPSR1S1PR1S1PR3PGRGNRHR
SCHEMBL2275493 0.91 S1PR1 (0.44) NPSR1S1PR1S1PR3PGRPTGES2
SCHEMBL2276391 0.91 S1PR1 (0.44) NPSR1S1PR1S1PR3PGRPTGES2
SCHEMBL2274455 0.91 S1PR1 (0.44) NPSR1S1PR1S1PR3PGRPTGES2
SCHEMBL12373800 0.89 NPSR1 (0.47) NPSR1S1PR1S1PR3GNRHR
SCHEMBL12373811 0.86 S1PR1 (0.44) NPSR1S1PR1S1PR3GNRHR
SCHEMBL12373812 0.86 S1PR1 (0.43) NPSR1S1PR1S1PR3PGRGNRHR
SCHEMBL12373790 0.86 S1PR1 (0.52) S1PR1S1PR3PGR

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 NPSR1 110/4885S1PR1 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.