SCHEMBL2279119

SCHEMBL2279119

CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cnc1Oc1ccc2cc[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.43
S1PR3 Q99500 1/20 0.43
CNR1 P21554 1/20 0.39
NR3C1 P04150 1/20 0.38
ESR1 P03372 1/20 0.38
FLT3 P36888 1/20 0.36
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR6 P50406 1/20 0.35
CCR2 P41597 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
SCHEMBL12373822 0.87 S1PR1 (0.46) S1PR1S1PR3CNR1NR3C1CYP2D6
SCHEMBL2409263 0.87 S1PR1 (0.59) S1PR1S1PR3CNR1ESR1KMT2A
SCHEMBL2409266 0.87 S1PR1 (0.59) S1PR1S1PR3CNR1ESR1KMT2A
SCHEMBL12373817 0.85 CNR1 (0.51) S1PR1S1PR3CNR1KMT2ACCR2
SCHEMBL2279361 0.85 S1PR1 (0.51) S1PR1S1PR3CNR1KMT2ACYP2D6
SCHEMBL12373849 0.85 S1PR1 (0.47) S1PR1S1PR3CNR1KMT2ACYP2D6
SCHEMBL12373802 0.85 S1PR1 (0.47) S1PR1S1PR3CNR1NR3C1KMT2A
SCHEMBL2278141 0.84 S1PR1 (0.48) S1PR1S1PR3CNR1KMT2ACYP2D6
SCHEMBL12373835 0.84 S1PR1 (0.43) S1PR1S1PR3CNR1CYP2D6CYP2C19
SCHEMBL12373819 0.84 S1PR1 (0.49) S1PR1S1PR3CNR1NR3C1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1988081-B1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO LTD (JP) 2012-10-17 EP disclosed
EP-1988081-B1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO LTD (JP) 2012-10-17 EP disclosed
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-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
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
EP-1988081-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-11-05 EP disclosed
EP-1988081-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-11-05 EP 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 1/4885S1PR3 2/4885CNR1 17/4885

“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.