SCHEMBL12373560

SCHEMBL12373560

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
GLA P06280 1/20 0.47
PKM P14618 1/20 0.41
ALPL P05186 4/20 0.40
EDNRB P24530 2/20 0.39
EDNRA P25101 2/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 2/20 0.39
ALOX15 P16050 1/20 0.38
HTT P42858 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
SCHEMBL12373568 0.93 POLB (0.44) SMN1; SMN2ALPLGAATSHRKMT2A
SCHEMBL12373587 0.92 SMN1; SMN2 (0.46) SMN1; SMN2ALPLKMT2A
SCHEMBL12373642 0.91 MEN1 (0.41) SMN1; SMN2GLAEDNRBEDNRAKMT2A
SCHEMBL12373638 0.89 LMNA (0.46) SMN1; SMN2ALPLTSHRKMT2AHTT
SCHEMBL12373753 0.89 ALPL (0.42) SMN1; SMN2ALPLTSHRHTT
SCHEMBL12373646 0.89 CNR1 (0.35) SMN1; SMN2GLAKMT2AHTT
SCHEMBL12373601 0.89 CNR1 (0.35) SMN1; SMN2GLAKMT2AHTT
SCHEMBL12373603 0.89 CA1 (0.40) SMN1; SMN2GLAGAAKMT2ABRD4
SCHEMBL12373684 0.88 S1PR1 (0.36) SMN1; SMN2GLAKMT2AHTT
SCHEMBL12373621 0.88 NMT1 (0.39) SMN1; SMN2KMT2AHTT

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 SMN1; SMN2 3091/4885GLA 3809/4885PKM 4097/4885

“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.