SCHEMBL12373741

SCHEMBL12373741

CCOc1ccc(S(=O)(=O)NC(C)c2cnc(Oc3ccc(C)cc3)n2CC)cc1NC(=O)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.39
AIMP2 Q13155 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL12373740 0.88 MMP2 (0.49) ALDH1A1SMN1; SMN2GAAKMT2AAIMP2
SCHEMBL12373749 0.87 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL12161512 0.83 S1PR1 (0.46) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL12373737 0.80 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL12161832 0.78 S1PR1 (0.40) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL12373489 0.78 LMNA (0.43) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL12373772 0.78 MEN1 (0.48) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL12373517 0.78 S1PR1 (0.44) ALDH1A1KMT2ATSHR
SCHEMBL12310537 0.77 S1PR1 (0.39) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL12373712 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAAKMT2AMEN1

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 ALDH1A1 2969/4885SMN1; SMN2 3091/4885GAA 4428/4885

“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.