SCHEMBL12373708

SCHEMBL12373708

CCCCCCCCCCS(=O)(=O)NC(C)c1cnc(Oc2ccc(C)cc2)n1CC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CNR1 P21554 1/20 0.37
NR3C1 P04150 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
DUT P33316 1/20 0.33
P2RX3 P56373 3/20 0.33
MRGPRX1 Q96LB2 2/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL12373491 0.88 PTGS1 (0.36) ALDH1A1CNR1P2RX3PTGS1
SCHEMBL12373689 0.88 CNR1 (0.38) KDM4EHPGDALDH1A1GAAMAPT
SCHEMBL12373498 0.84 P2RX3 (0.35) ALDH1A1P2RX3
SCHEMBL12373468 0.83 S1PR1 (0.42) CNR1ITGB3
SCHEMBL12373518 0.83 ALDH1A1 (0.45) KDM4EHPGDALDH1A1CNR1NR3C1
SCHEMBL12373629 0.83 MEN1 (0.37) HPGDALDH1A1MAPTP2RX3PTGS1
SCHEMBL12373517 0.82 S1PR1 (0.44) ALDH1A1CNR1
SCHEMBL12373699 0.81 P2RX3 (0.39) KDM4EALDH1A1CNR1P2RX3PTGS1
SCHEMBL12373577 0.81 FFAR1 (0.47) KDM4EALDH1A1MAPT
SCHEMBL12373505 0.81 NPBWR1 (0.37) GAANR3C1P2RX3

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 KDM4E 2845/4885HPGD 2547/4885ALDH1A1 2969/4885

“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.