SCHEMBL12373554

SCHEMBL12373554

CCn1c(C(C)NS(=O)(=O)c2cc(F)c(Br)cc2F)cnc1Oc1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.39
S1PR1 P21453 9/20 0.36
S1PR3 Q99500 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
RRM1 P23921 1/20 0.35
RRM2B Q7LG56 1/20 0.35
PPARG P37231 1/20 0.35
KAT6A Q92794 3/20 0.33
ALOX5AP P20292 2/20 0.32
FEN1 P39748 1/20 0.32
P2RX3 P56373 1/20 0.32
CNR1 P21554 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
SCHEMBL12373639 0.93 S1PR1 (0.38) S1PR1S1PR3KAT6AALOX5APFEN1
SCHEMBL12373623 0.89 S1PR1 (0.44) S1PR1S1PR3KAT6AALOX5APFEN1
SCHEMBL12373621 0.89 NMT1 (0.39) S1PR1S1PR3PPARGKAT6AALOX5AP
SCHEMBL12373584 0.89 KAT6A (0.40) S1PR1S1PR3KAT6ACNR1
SCHEMBL12373692 0.89 S1PR1 (0.40) S1PR1S1PR3KAT6AALOX5APFEN1
SCHEMBL12373681 0.88 S1PR1 (0.44) S1PR1S1PR3PPARGP2RX3CNR1
SCHEMBL12373668 0.88 KMT2A (0.36) S1PR1S1PR3CNR1
SCHEMBL12373611 0.87 KAT6A (0.40) S1PR1S1PR3KAT6AP2RX3
SCHEMBL12373655 0.87 S1PR1 (0.40) NR3C1S1PR1S1PR3P2RX3
SCHEMBL12373679 0.86 S1PR1 (0.42) S1PR1S1PR3CHRM2CHRM1RRM1

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 NR3C1 165/4885S1PR1 1/4885S1PR3 2/4885

“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.