SCHEMBL12373513

SCHEMBL12373513

CCn1c(C(C)NS(=O)(=O)/C=C/c2ccccc2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
NFE2L2 Q16236 1/20 0.34
SCN9A Q15858 1/20 0.34
PTPN1 P18031 1/20 0.34
CDC25B P30305 1/20 0.34
DUSP3 P51452 1/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
P2RX3 P56373 2/20 0.34
PTGES2 Q9H7Z7 1/20 0.33
POLB P06746 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
SCHEMBL12373463 0.83 MMP13 (0.41) ALDH1A1MMP9
SCHEMBL12373498 0.82 P2RX3 (0.35) ALDH1A1MMP2MMP9P2RX3
SCHEMBL12373491 0.82 PTGS1 (0.36) HTTALDH1A1P2RX3
SCHEMBL12373518 0.81 ALDH1A1 (0.45) HTTALDH1A1MMP2MMP9P2RX3
SCHEMBL12373577 0.81 FFAR1 (0.47) HTTLMNAALDH1A1MMP2MMP9
SCHEMBL12373629 0.81 MEN1 (0.37) HTTALDH1A1MMP2MMP9P2RX3
SCHEMBL12373931 0.81 HTR2C (0.40) HTTGAA
SCHEMBL12373517 0.81 S1PR1 (0.44) ALDH1A1
SCHEMBL12373520 0.80 CASP1 (0.39) LMNAP2RX3POLB
SCHEMBL12373539 0.80 ADAMTS4 (0.43) ALDH1A1MMP2MMP9

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 PPARG 3944/4885HTT 4589/4885LMNA 3437/4885

“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.