SCHEMBL12373526

SCHEMBL12373526

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.54
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADAMTS4 O75173 1/20 0.42
MMP13 P45452 1/20 0.42
IDO1 P14902 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP3A5 P20815 1/20 0.41

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 0.92 S1PR1 (0.44) S1PR1CYP2C19ALDH1A1MMP13
SCHEMBL12373548 0.92 S1PR1 (0.49) S1PR1CYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL12373467 0.91 S1PR1 (0.46) S1PR1ALDH1A1SMN1; SMN2MMP13LMNA
SCHEMBL12373521 0.91 S1PR1 (0.45) S1PR1ALDH1A1SMN1; SMN2
SCHEMBL12373495 0.89 S1PR1 (0.43) S1PR1SMN1; SMN2ADAMTS4
SCHEMBL4119410 0.89 CNR1 (0.47) S1PR1ALDH1A1MMP13
SCHEMBL12373519 0.89 S1PR1 (0.49) S1PR1CYP2C19ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL12373701 0.89 S1PR1 (0.42) S1PR1CYP2C19ALDH1A1ADAMTS4MMP13
SCHEMBL12373649 0.89 S1PR1 (0.42) S1PR1CYP2C19MMP13
SCHEMBL12373499 0.88 S1PR1 (0.41) S1PR1MMP13

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 1/4885CYP2C19 3489/4885ALDH1A1 2969/4885

“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.