SCHEMBL12373603

SCHEMBL12373603

CCn1c(C(C)NS(=O)(=O)c2ccc(Br)cc2C)cnc1Oc1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
BRD4 O60885 1/20 0.37
BRD1 O95696 1/20 0.37
BRPF1 P55201 1/20 0.37
BRPF3 Q9ULD4 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CNR1 P21554 1/20 0.35
NR3C1 P04150 2/20 0.35
S1PR1 P21453 5/20 0.34
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
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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) CA1CA2MEN1KMT2ACNR1
SCHEMBL12373646 0.93 CNR1 (0.35) CA1CA2MEN1KMT2ACNR1
SCHEMBL12373684 0.91 S1PR1 (0.36) CA1CA2MEN1KMT2ACNR1
SCHEMBL12373621 0.91 NMT1 (0.39) CA1CA2MEN1KMT2ACNR1
SCHEMBL12373642 0.91 MEN1 (0.41) MEN1KMT2ACNR1S1PR1SMN1; SMN2
SCHEMBL12373560 0.89 SMN1; SMN2 (0.47) BRD4KMT2ASMN1; SMN2HTTGLA
SCHEMBL12373677 0.89 NR3C1 (0.36) MEN1KMT2ACNR1NR3C1S1PR1
SCHEMBL12373762 0.89 S1PR1 (0.38) CNR1S1PR1CYP3A4
SCHEMBL12373471 0.87 ALPL (0.41) S1PR1
SCHEMBL12373520 0.87 CASP1 (0.39) BRD1BRPF1MEN1KMT2ASMN1; SMN2

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 CA1 3787/4885CA2 1139/4885BRD4 2052/4885

“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.