SCHEMBL12373829

SCHEMBL12373829

CC(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1cnc(Oc2ccc(F)cc2)n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
CNR1 P21554 1/20 0.45
MEN1 O00255 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PGR P06401 1/20 0.41
CCR2 P41597 4/20 0.39
SLC22A12 Q96S37 6/20 0.39
CCR4 P51679 2/20 0.39
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CCR5 P51681 1/20 0.37

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
SCHEMBL12373790 0.88 S1PR1 (0.52) S1PR1S1PR3CNR1KMT2AALDH1A1
SCHEMBL12373836 0.86 S1PR1 (0.39) S1PR1S1PR3MEN1PABPC1KMT2A
SCHEMBL12373854 0.81 S1PR1 (0.46) S1PR1S1PR3CNR1ALDH1A1SMN1; SMN2
SCHEMBL12373817 0.80 CNR1 (0.51) S1PR1S1PR3CNR1KMT2AALDH1A1
SCHEMBL2279361 0.80 S1PR1 (0.51) S1PR1S1PR3CNR1KMT2ACCR2
SCHEMBL2274455 0.79 S1PR1 (0.44) S1PR1S1PR3CNR1ALDH1A1SMN1; SMN2
SCHEMBL2276391 0.79 S1PR1 (0.44) S1PR1S1PR3CNR1ALDH1A1SMN1; SMN2
SCHEMBL2275493 0.79 S1PR1 (0.44) S1PR1S1PR3CNR1ALDH1A1SMN1; SMN2
SCHEMBL2278141 0.79 S1PR1 (0.48) S1PR1S1PR3CNR1KMT2AALDH1A1
SCHEMBL12373819 0.78 S1PR1 (0.49) S1PR1S1PR3CNR1KMT2AALDH1A1

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.