SCHEMBL13337356

SCHEMBL13337356

Cc1cc(N(C(C)C(=O)OC(C)(C)C)S(C)(=O)=O)ccc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 5/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 2/20 0.48
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
ACACB O00763 2/20 0.37
ACACA Q13085 2/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL3377230 0.87 SMN1; SMN2 (0.51) SMN1; SMN2LMNAMAPK1HTTGAA
SCHEMBL3377232 0.87 SMN1; SMN2 (0.51) SMN1; SMN2LMNAMAPK1HTTGAA
SCHEMBL3376989 0.80 SMN1; SMN2 (0.54) SMN1; SMN2LMNAHTTGAAMAPT
SCHEMBL3376558 0.76 PTGES (0.46) SMN1; SMN2LMNAGAAMMP2MMP9
SCHEMBL3377212 0.75 SMN1; SMN2 (0.71) SMN1; SMN2LMNAHTTGAAMEN1
SCHEMBL3374058 0.74 ADAMTS4 (0.41) ACACBACACASCN9AMMP13
SCHEMBL13337354 0.73 SMN1; SMN2 (0.51) SMN1; SMN2LMNAMAPK1HTTGAA
SCHEMBL3376339 0.70 PTGES (0.58) SMN1; SMN2MMP2MMP9
SCHEMBL13337357 0.69 NR3C1 (0.56) SMN1; SMN2LMNANPSR1MMP2MMP9
SCHEMBL3377815 0.69 PTGES (0.52) SMN1; SMN2LMNAMEN1KMT2AMMP2

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-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US disclosed
US-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 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-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNH2 SMN1; SMN2 1551/4885LMNA 861/4885MAPK1 1122/4885

“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.