SCHEMBL12373568

SCHEMBL12373568

CCn1c(C(C)NS(=O)(=O)c2cc(C)ccc2OC)cnc1Oc1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
RECQL P46063 1/20 0.40
ALDH1A1 P00352 3/20 0.40
ALPL P05186 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL12373587 0.95 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AL3MBTL1ALDH1A1ALPL
SCHEMBL12373753 0.93 ALPL (0.42) POLBSMN1; SMN2TSHRCASP1CASP7
SCHEMBL12373560 0.93 SMN1; SMN2 (0.47) SMN1; SMN2TSHRKMT2AALPLGAA
SCHEMBL12373638 0.93 LMNA (0.46) SMN1; SMN2TSHRKMT2AL3MBTL1ALDH1A1
SCHEMBL12373704 0.90 CASP1 (0.45) SMN1; SMN2TSHRCASP1CASP7HSD17B10
SCHEMBL12373527 0.90 ALDH1A1 (0.43) SMN1; SMN2TSHRKMT2AL3MBTL1ALDH1A1
SCHEMBL12373735 0.90 MMP7 (0.43) SMN1; SMN2ALDH1A1ALPLGAA
SCHEMBL12373692 0.89 S1PR1 (0.40)
SCHEMBL12373489 0.88 LMNA (0.43) TSHRKMT2AALDH1A1MEN1
SCHEMBL12373648 0.86 S1PR1 (0.40)

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 POLB 4129/4885SMN1; SMN2 3091/4885TSHR 861/4885

“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.