SCHEMBL12373679

SCHEMBL12373679

CCn1c(C(C)NS(=O)(=O)c2cc(Cl)ccc2F)cnc1Oc1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.42
S1PR3 Q99500 1/20 0.42
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
RRM1 P23921 1/20 0.35
RRM2B Q7LG56 1/20 0.35
KAT6A Q92794 1/20 0.35
PPARG P37231 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL12373660 0.94 S1PR1 (0.42) S1PR1S1PR3CHRM2CHRM1RRM1
SCHEMBL12373692 0.94 S1PR1 (0.40) S1PR1S1PR3KAT6A
SCHEMBL12373611 0.92 KAT6A (0.40) S1PR1S1PR3KAT6AKMT2A
SCHEMBL12373486 0.92 S1PR1 (0.41) S1PR1S1PR3HTR2ASLC6A4KCNH2
SCHEMBL12373623 0.90 S1PR1 (0.44) S1PR1S1PR3KAT6A
SCHEMBL12373638 0.90 LMNA (0.46) S1PR1KMT2A
SCHEMBL12373581 0.90 S1PR1 (0.41) S1PR1S1PR3HTR2ASLC6A4KCNH2
SCHEMBL12373639 0.90 S1PR1 (0.38) S1PR1S1PR3KAT6AKMT2A
SCHEMBL12373616 0.89 S1PR1 (0.42) S1PR1S1PR3KMT2A
SCHEMBL12373591 0.88 ALDH1A1 (0.38) S1PR1S1PR3KAT6AKMT2A

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 S1PR1 1/4885S1PR3 2/4885HTR2A 1047/4885

“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.