SCHEMBL12373467

SCHEMBL12373467

CCn1c(C(C)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.46
PPARA Q07869 2/20 0.41
CNR1 P21554 1/20 0.40
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NR3C1 P04150 1/20 0.37
ESR2 Q92731 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP13 P45452 1/20 0.37
EDNRA P25101 1/20 0.36

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 0.93 S1PR1 (0.44) S1PR1CNR1CA2CA1CA12
SCHEMBL12373526 0.91 S1PR1 (0.54) S1PR1ALDH1A1LMNASMN1; SMN2MMP13
SCHEMBL4119410 0.90 CNR1 (0.47) S1PR1CNR1CA2CA12CA9
SCHEMBL12373499 0.89 S1PR1 (0.41) S1PR1CNR1CA2CA1CA12
SCHEMBL12373577 0.89 FFAR1 (0.47) S1PR1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL12373463 0.89 MMP13 (0.41) S1PR1CNR1ALDH1A1SMN1; SMN2MMP13
SCHEMBL12373509 0.88 S1PR1 (0.41) S1PR1CNR1CA2CA1CA12
SCHEMBL12373495 0.88 S1PR1 (0.43) S1PR1CNR1CA2CA12CA9
SCHEMBL12373464 0.88 KDM4E (0.41) S1PR1CNR1CA2CA1CA12
SCHEMBL12373473 0.88 S1PR1 (0.53) S1PR1ALDH1A1

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 1/4885PPARA 3236/4885CNR1 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.