SCHEMBL12373831

SCHEMBL12373831

CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cnc1Oc1cccc(-n2ccnc2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.41
S1PR3 Q99500 1/20 0.41
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CCR2 P41597 2/20 0.36
IDO1 P14902 1/20 0.36
CNR1 P21554 1/20 0.36
PGR P06401 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 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
SCHEMBL2278598 0.91 S1PR1 (0.44) S1PR1S1PR3CCR2CNR1PGR
SCHEMBL12161016 0.87 S1PR1 (0.56) S1PR1S1PR3IDO1CNR1CYP2D6
SCHEMBL12373819 0.86 S1PR1 (0.49) S1PR1S1PR3CCR2CNR1PGR
SCHEMBL2279140 0.84 S1PR1 (0.47) S1PR1S1PR3CCR2CNR1PGR
SCHEMBL12373827 0.84 S1PR1 (0.42) S1PR1S1PR3CCR2CNR1
SCHEMBL2277665 0.83 S1PR1 (0.42) S1PR1S1PR3CNR1
SCHEMBL12373808 0.83 S1PR1 (0.44) S1PR1S1PR3CCR2CNR1PGR
SCHEMBL12373795 0.83 S1PR1 (0.49) S1PR1S1PR3CNR1CYP2D6
SCHEMBL2280663 0.82 S1PR1 (0.43) S1PR1S1PR3HPGDTSHRCCR2
SCHEMBL12373822 0.82 S1PR1 (0.46) S1PR1S1PR3CNR1PGRCYP2D6

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 1/4885S1PR3 2/4885POLB 4129/4885

“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.