SCHEMBL12373601

SCHEMBL12373601

CCc1cc(Br)ccc1S(=O)(=O)NC(C)c1cnc(Oc2ccc(C)cc2)n1CC

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
S1PR1 P21453 7/20 0.34
SLC6A9 P48067 1/20 0.33
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
GLA P06280 1/20 0.32
S1PR3 Q99500 1/20 0.32
CASP1 P29466 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL12373646 0.93 CNR1 (0.35) CNR1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL12373603 0.93 CA1 (0.40) CNR1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL12373621 0.91 NMT1 (0.39) CNR1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL12373684 0.91 S1PR1 (0.36) CNR1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL12373642 0.91 MEN1 (0.41) CNR1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL12373560 0.89 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AHTTGLA
SCHEMBL12373762 0.89 S1PR1 (0.38) CNR1CYP3A4S1PR1
SCHEMBL12373471 0.87 ALPL (0.41) S1PR1
SCHEMBL12373464 0.87 KDM4E (0.41) CNR1KMT2AS1PR1S1PR3CA1
SCHEMBL12373668 0.85 KMT2A (0.36) CNR1MEN1KMT2AMAPTHTT

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 CNR1 17/4885SMN1; SMN2 3091/4885MEN1 1204/4885

“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.