SCHEMBL12373717

SCHEMBL12373717

CCn1c(C(C)NS(=O)(=O)c2ccc3nsnc3c2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.41
S1PR3 Q99500 1/20 0.38
KDM4E B2RXH2 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CNR1 P21554 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PARG Q86W56 1/20 0.35
PKM P14618 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL12373517 0.88 S1PR1 (0.44) S1PR1S1PR3CNR1
SCHEMBL12373690 0.86 S1PR1 (0.41) S1PR1S1PR3CNR1PKM
SCHEMBL4119410 0.85 CNR1 (0.47) S1PR1S1PR3CNR1
SCHEMBL12373648 0.85 S1PR1 (0.40) S1PR1S1PR3CNR1PKM
SCHEMBL12373566 0.84 S1PR1 (0.40) S1PR1S1PR3KDM4EAPOBEC3AAPOBEC3G
SCHEMBL12373503 0.84 CYSLTR1 (0.43) S1PR1S1PR3
SCHEMBL12373489 0.84 LMNA (0.43) S1PR1S1PR3CNR1LMNA
SCHEMBL12373619 0.84 S1PR1 (0.48) S1PR1S1PR3CNR1PKM
SCHEMBL2278141 0.84 S1PR1 (0.48) S1PR1S1PR3CNR1
SCHEMBL12373523 0.84 KMT2A (0.40) S1PR1S1PR3KDM4ECNR1PKM

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 S1PR1 1/4885S1PR3 2/4885KDM4E 2845/4885

“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.