SCHEMBL12373827

SCHEMBL12373827

CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cnc1Oc1cccc(N2CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.42
S1PR3 Q99500 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CCR2 P41597 3/20 0.39
CNR1 P21554 1/20 0.39
LMNA P02545 1/20 0.38
GUSB P08236 4/20 0.37
ALDH1A1 P00352 2/20 0.37
HTR7 P34969 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.36
PTGDR Q13258 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
SCHEMBL2277665 0.93 S1PR1 (0.42) S1PR1S1PR3SMN1; SMN2CNR1GUSB
SCHEMBL12373795 0.92 S1PR1 (0.49) S1PR1S1PR3SMN1; SMN2CNR1GUSB
SCHEMBL2278598 0.88 S1PR1 (0.44) S1PR1S1PR3CCR2CNR1LMNA
SCHEMBL2279140 0.88 S1PR1 (0.47) S1PR1S1PR3CCR2CNR1
SCHEMBL12373819 0.87 S1PR1 (0.49) S1PR1S1PR3SMN1; SMN2CCR2CNR1
SCHEMBL12160985 0.87 S1PR1 (0.58) S1PR1S1PR3SMN1; SMN2CCR2CNR1
SCHEMBL12373935 0.86 GUSB (0.40) S1PR1S1PR3SMN1; SMN2GUSBALDH1A1
SCHEMBL12161006 0.86 S1PR1 (0.59) S1PR1S1PR3SMN1; SMN2CNR1GUSB
SCHEMBL12160992 0.84 S1PR1 (0.59) S1PR1S1PR3SMN1; SMN2CNR1GUSB
SCHEMBL12373808 0.84 S1PR1 (0.44) S1PR1S1PR3CCR2CNR1

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.