SCHEMBL12373626

SCHEMBL12373626

CCn1c(C(C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
P2RX3 P56373 10/20 0.36
NPBWR1 P48145 3/20 0.35
MCHR1 Q99705 3/20 0.35
S100A9 P06702 1/20 0.35
PLA2G1B P04054 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATG4B Q9Y4P1 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
SCHEMBL12373645 0.88 MEN1 (0.40) P2RX3MAPT
SCHEMBL12373518 0.87 ALDH1A1 (0.45) HTTP2RX3SMN1; SMN2
SCHEMBL2278141 0.85 S1PR1 (0.48) CYP2D6CYP2C19SMN1; SMN2
SCHEMBL12373699 0.85 P2RX3 (0.39) HTTP2RX3CYP3A4SMN1; SMN2
SCHEMBL12373491 0.84 PTGS1 (0.36) HTTP2RX3CYP1A2CYP3A4CYP2C9
SCHEMBL12373514 0.82 PGR (0.39) HTTP2RX3NPBWR1MCHR1MAPT
SCHEMBL12373486 0.81 S1PR1 (0.41) HTTMAPTSMN1; SMN2
SCHEMBL12373579 0.80 S1PR1 (0.40) NPBWR1MCHR1CYP2D6CYP2C19
SCHEMBL12373498 0.80 P2RX3 (0.35) P2RX3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12373541 0.80 ALDH1A1 (0.38) P2RX3NPBWR1MCHR1

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 HTT 4589/4885P2RX3 791/4885NPBWR1 67/4885

“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.