SCHEMBL12373738

SCHEMBL12373738

CCn1c(C(C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cnc1Oc1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.45
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 4/20 0.41
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.38
PPARG P37231 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL12373632 0.93 S1PR1 (0.45) S1PR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL12373674 0.90 S1PR1 (0.45) S1PR1CYP3A4
SCHEMBL12373615 0.90 ALDH1A1 (0.44) S1PR1ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL12373759 0.89 S1PR1 (0.46) S1PR1CYP3A4
SCHEMBL12373589 0.89 S1PR1 (0.40) S1PR1ALDH1A1MAPT
SCHEMBL12373581 0.89 S1PR1 (0.41) S1PR1CYP3A4PPARG
SCHEMBL12373672 0.88 S1PR1 (0.45) S1PR1CYP3A4
SCHEMBL12373684 0.87 S1PR1 (0.36) S1PR1SMN1; SMN2MAPTHTTCYP3A4
SCHEMBL12373514 0.87 PGR (0.39) S1PR1ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL12373616 0.86 S1PR1 (0.42) S1PR1ALDH1A1SMN1; SMN2LMNAHPGD

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 1/4885ALDH1A1 2969/4885SMN1; SMN2 3091/4885

“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.