SCHEMBL12373518

SCHEMBL12373518

CCn1c(C(C)NS(=O)(=O)Cc2ccccc2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
CNR1 P21554 1/20 0.41
PGR P06401 1/20 0.41
P2RX3 P56373 3/20 0.39
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
AR P10275 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 1/20 0.36
NR3C1 P04150 1/20 0.36
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 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
SCHEMBL12373699 0.92 P2RX3 (0.39) ALDH1A1KDM4ECNR1P2RX3HTT
SCHEMBL12373645 0.90 MEN1 (0.40) ALDH1A1KDM4ECNR1P2RX3MEN1
SCHEMBL12373491 0.89 PTGS1 (0.36) ALDH1A1CNR1P2RX3HTTMEN1
SCHEMBL12373629 0.88 MEN1 (0.37) ALDH1A1P2RX3HTTMEN1KMT2A
SCHEMBL12373626 0.87 HTT (0.37) P2RX3HTTSMN1; SMN2
SCHEMBL12373577 0.86 FFAR1 (0.47) ALDH1A1KDM4EHTTMMP2MMP9
SCHEMBL12373463 0.85 MMP13 (0.41) ALDH1A1CNR1MMP9SMN1; SMN2
SCHEMBL12373498 0.85 P2RX3 (0.35) ALDH1A1P2RX3MMP2MMP9
SCHEMBL12373501 0.84 CYP1A2 (0.41) ALDH1A1KDM4EP2RX3MEN1KMT2A
SCHEMBL12373689 0.83 CNR1 (0.38) ALDH1A1KDM4ECNR1MEN1KMT2A

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 ALDH1A1 2969/4885KDM4E 2845/4885CNR1 17/4885

“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.