SCHEMBL12373481

SCHEMBL12373481

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.47
S1PR3 Q99500 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CNR1 P21554 2/20 0.37
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL2278141 0.94 S1PR1 (0.48) S1PR1S1PR3SMN1; SMN2ALDH1A1CNR1
SCHEMBL12373690 0.92 S1PR1 (0.41) S1PR1S1PR3CNR1
SCHEMBL12373550 0.91 S1PR1 (0.59) S1PR1S1PR3SMN1; SMN2ALDH1A1KMT2A
SCHEMBL12373517 0.89 S1PR1 (0.44) S1PR1S1PR3ALDH1A1CNR1KMT2A
SCHEMBL12373675 0.89 S1PR1 (0.45) S1PR1S1PR3SMN1; SMN2CNR1
SCHEMBL12373473 0.89 S1PR1 (0.53) S1PR1S1PR3ALDH1A1KMT2ACYP2D6
SCHEMBL12373849 0.88 S1PR1 (0.47) S1PR1S1PR3ALDH1A1CNR1KMT2A
SCHEMBL12373619 0.88 S1PR1 (0.48) S1PR1S1PR3CNR1
SCHEMBL12373549 0.88 S1PR1 (0.44) S1PR1S1PR3KMT2ACYP2D6CYP2C19
SCHEMBL12373635 0.87 S1PR1 (0.43) S1PR1S1PR3ALDH1A1KMT2A

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 2/4885SMN1; SMN2 3091/4885

“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.