SCHEMBL12373874

SCHEMBL12373874

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 1/20 0.44
CNR1 P21554 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND2 P30279 1/20 0.37
CCND3 P30281 1/20 0.37
CACNA1B Q00975 4/20 0.37
HTT P42858 1/20 0.37
PGR P06401 1/20 0.36
ESR1 P03372 1/20 0.36
CACNA1H O95180 2/20 0.35
CCR2 P41597 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL12373817 0.89 CNR1 (0.51) S1PR1S1PR3CNR1ALDH1A1HTT
SCHEMBL2279361 0.89 S1PR1 (0.51) S1PR1S1PR3CNR1CCR2
SCHEMBL2278141 0.88 S1PR1 (0.48) S1PR1S1PR3CNR1ALDH1A1PGR
SCHEMBL12373819 0.88 S1PR1 (0.49) S1PR1S1PR3CNR1ALDH1A1PGR
SCHEMBL12160881 0.87 S1PR1 (0.60) S1PR1S1PR3CNR1CDK4CCND1
SCHEMBL12373790 0.87 S1PR1 (0.52) S1PR1S1PR3CNR1ALDH1A1PGR
SCHEMBL12373892 0.85 S1PR1 (0.44) S1PR1S1PR3CNR1ALDH1A1
SCHEMBL12373849 0.84 S1PR1 (0.47) S1PR1S1PR3CNR1ALDH1A1PGR
SCHEMBL12373802 0.84 S1PR1 (0.47) S1PR1S1PR3CNR1PGRCCR2
SCHEMBL12373841 0.84 ALDH1A1 (0.46) S1PR1S1PR3ALDH1A1KDM4ESMN1; SMN2

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 2/4885CNR1 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.