SCHEMBL12373746

SCHEMBL12373746

CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NC(C)c1cnc(Oc2ccc(C)cc2)n1CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
TNF P01375 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CASP6 P55212 1/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RORC P51449 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALPL P05186 1/20 0.37
MAPK1 P28482 1/20 0.37
ROCK1 Q13464 1/20 0.36

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
SCHEMBL12373461 0.86 MAPT (0.50) MEN1KMT2APOLBGAAMAPT
SCHEMBL12373749 0.85 ALDH1A1 (0.44) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL12373568 0.83 POLB (0.44) MEN1KMT2APOLBGAASMN1; SMN2
SCHEMBL12373587 0.82 SMN1; SMN2 (0.46) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL12161539 0.81 S1PR1 (0.45) TDP1TNFNOD2NOD1MEN1
SCHEMBL12373753 0.80 ALPL (0.42) POLBMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL12373560 0.80 SMN1; SMN2 (0.47) KMT2AGAASMN1; SMN2HTTALPL
SCHEMBL12373638 0.80 LMNA (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL12373527 0.79 ALDH1A1 (0.43) TDP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL12373648 0.79 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 TDP1 1692/4885TNF 4711/4885NOD2 2899/4885

“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.