SCHEMBL12373505

SCHEMBL12373505

CCn1c(C(C)NS(=O)(=O)CCc2cccc3ccccc23)cnc1Oc1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 8/20 0.37
ADAMTS4 O75173 1/20 0.35
MMP13 P45452 1/20 0.35
P2RX3 P56373 2/20 0.35
GAA P10253 1/20 0.34
NQO2 P16083 2/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
CASP1 P29466 1/20 0.34
PTPN1 P18031 1/20 0.34
TAOK1 Q7L7X3 1/20 0.33
MTNR1A P48039 2/20 0.33
HTR6 P50406 1/20 0.33
MTNR1B P49286 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
SCHEMBL12373511 0.85 PGR (0.42) NPBWR1ADAMTS4MMP13P2RX3NR3C1
SCHEMBL12373491 0.83 PTGS1 (0.36) MMP13P2RX3
SCHEMBL12373518 0.81 ALDH1A1 (0.45) P2RX3NR3C1PGR
SCHEMBL12373629 0.81 MEN1 (0.37) MMP13P2RX3
SCHEMBL12373708 0.81 KDM4E (0.39) P2RX3GAANR3C1
SCHEMBL12373577 0.80 FFAR1 (0.47) ADAMTS4MMP13
SCHEMBL12373463 0.79 MMP13 (0.41) MMP13
SCHEMBL12373689 0.79 CNR1 (0.38) GAA
SCHEMBL12161225 0.79 S1PR1 (0.41) NPBWR1P2RX3NQO2NR3C1HTR6
SCHEMBL12373498 0.79 P2RX3 (0.35) P2RX3

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 NPBWR1 67/4885ADAMTS4 3922/4885MMP13 3607/4885

“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.