SCHEMBL12373621

SCHEMBL12373621

CCn1c(C(C)NS(=O)(=O)c2ccc(Br)cc2F)cnc1Oc1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
S1PR1 P21453 7/20 0.36
S1PR3 Q99500 1/20 0.36
PPARG P37231 1/20 0.35
KAT6A Q92794 1/20 0.34
CNR1 P21554 1/20 0.34
BMP1 P13497 1/20 0.33
ALOX5AP P20292 3/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FEN1 P39748 1/20 0.32

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 0.91 CNR1 (0.35) CYP3A4CYP2C9CYP2C19S1PR1S1PR3
SCHEMBL12373601 0.91 CNR1 (0.35) CYP3A4CYP2C9CYP2C19S1PR1S1PR3
SCHEMBL12373584 0.91 KAT6A (0.40) S1PR1S1PR3KAT6ACNR1MAPT
SCHEMBL12373603 0.91 CA1 (0.40) CYP3A4CYP2C9CYP2C19S1PR1S1PR3
SCHEMBL12373684 0.89 S1PR1 (0.36) CYP3A4CYP2C9CYP2C19S1PR1S1PR3
SCHEMBL12373660 0.89 S1PR1 (0.42) S1PR1S1PR3
SCHEMBL12373554 0.89 NR3C1 (0.39) S1PR1S1PR3PPARGKAT6ACNR1
SCHEMBL12373642 0.89 MEN1 (0.41) CYP3A4CYP2C9CYP2C19S1PR1S1PR3
SCHEMBL12373639 0.89 S1PR1 (0.38) S1PR1S1PR3KAT6ACNR1ALOX5AP
SCHEMBL12373762 0.89 S1PR1 (0.38) CYP3A4S1PR1PPARGCNR1

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 NMT1 1659/4885CYP3A4 3578/4885CYP2C9 3666/4885

“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.