SCHEMBL12373459

SCHEMBL12373459

CCn1c(C(C)NS(=O)(=O)c2sc(NC(C)=O)nc2C)cnc1Oc1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.39
RORA P35398 1/20 0.38
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38
MAPT P10636 2/20 0.36
ACACB O00763 3/20 0.36
GRM4 Q14833 3/20 0.35
ATAD2 Q6PL18 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CG P48736 1/20 0.35
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
AKT1 P31749 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
GAA P10253 2/20 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
SCHEMBL12373713 0.87 S1PR1 (0.34) S1PR1PIK3CA
SCHEMBL12373461 0.82 MAPT (0.50) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL12161158 0.80 S1PR1 (0.43) S1PR1RORARORCRORBMAPT
SCHEMBL12373517 0.79 S1PR1 (0.44) S1PR1KMT2AALDH1A1
SCHEMBL12373462 0.78 ADAMTS4 (0.43) S1PR1MAPTMEN1KMT2AALDH1A1
SCHEMBL12373635 0.78 S1PR1 (0.43) S1PR1MAPTKMT2AALDH1A1
SCHEMBL12373563 0.77 S1PR1 (0.35) S1PR1
SCHEMBL12373463 0.77 MMP13 (0.41) S1PR1SMN1; SMN2ALDH1A1
SCHEMBL12373749 0.77 ALDH1A1 (0.44) S1PR1MAPTMEN1KMT2AALDH1A1
SCHEMBL12373746 0.77 TDP1 (0.41) RORCMAPTMEN1KMT2ASMN1; 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 2 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-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 1/4885RORA 3484/4885RORC 3565/4885

“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.