SCHEMBL12373646

SCHEMBL12373646

CCn1c(C(C)NS(=O)(=O)c2ccc(Br)cc2Br)cnc1Oc1ccc(C)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.35
S1PR1 P21453 7/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
GLA P06280 1/20 0.32
P2RX3 P56373 1/20 0.32
S1PR3 Q99500 1/20 0.32
ALDH1A1 P00352 1/20 0.32
BTK Q06187 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
SCHEMBL12373601 0.93 CNR1 (0.35) CNR1S1PR1MEN1KMT2ASMN1; SMN2
SCHEMBL12373603 0.93 CA1 (0.40) CNR1S1PR1MEN1KMT2ASMN1; SMN2
SCHEMBL12373642 0.93 MEN1 (0.41) CNR1S1PR1MEN1KMT2ASMN1; SMN2
SCHEMBL12373668 0.91 KMT2A (0.36) CNR1S1PR1MEN1KMT2AMAPT
SCHEMBL12373684 0.91 S1PR1 (0.36) CNR1S1PR1MEN1KMT2ASMN1; SMN2
SCHEMBL12373621 0.91 NMT1 (0.39) CNR1S1PR1MEN1KMT2ASMN1; SMN2
SCHEMBL12373560 0.89 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2HTTGLA
SCHEMBL12373466 0.89 POLB (0.40) MEN1KMT2ASMN1; SMN2CYP3A4MAPT
SCHEMBL12373762 0.89 S1PR1 (0.38) CNR1S1PR1CYP3A4
SCHEMBL12373674 0.89 S1PR1 (0.45) S1PR1CYP3A4CYP2C19

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 17/4885S1PR1 1/4885MEN1 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.