SCHEMBL12373809

SCHEMBL12373809

CCn1c(C(Cc2ccc(F)cc2)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cnc1Oc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.49
NPSR1 Q6W5P4 3/20 0.45
S1PR3 Q99500 1/20 0.43
PGR P06401 1/20 0.37
GNRHR P30968 1/20 0.37
CCR2 P41597 1/20 0.36
BDKRB1 P46663 2/20 0.36
SLC22A12 Q96S37 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADAM17 P78536 1/20 0.35
CNR1 P21554 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
SCHEMBL12373821 0.97 S1PR1 (0.53) S1PR1NPSR1S1PR3
SCHEMBL12373804 0.97 S1PR1 (0.48) S1PR1NPSR1S1PR3PGRGNRHR
SCHEMBL12373799 0.97 NPSR1 (0.49) S1PR1NPSR1S1PR3PGRGNRHR
SCHEMBL2275493 0.92 S1PR1 (0.44) S1PR1NPSR1S1PR3PGRCCR2
SCHEMBL2276391 0.92 S1PR1 (0.44) S1PR1NPSR1S1PR3PGRCCR2
SCHEMBL2274455 0.92 S1PR1 (0.44) S1PR1NPSR1S1PR3PGRCCR2
SCHEMBL12373811 0.88 S1PR1 (0.44) S1PR1NPSR1S1PR3GNRHRALDH1A1
SCHEMBL12373790 0.88 S1PR1 (0.52) S1PR1S1PR3PGRCCR2SLC22A12
SCHEMBL12373852 0.87 S1PR1 (0.41) S1PR1NPSR1S1PR3PGRCCR2
SCHEMBL12373854 0.86 S1PR1 (0.46) S1PR1NPSR1S1PR3PGRCCR2

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 1/4885NPSR1 110/4885S1PR3 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.