SCHEMBL4433293

SCHEMBL4433293

[2H]C([2H])([2H])Oc1cc(OC([2H])([2H])[2H])nc(S(C)(=O)=O)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
NPSR1 Q6W5P4 6/20 0.35
HPGD P15428 5/20 0.35
KMT2A Q03164 5/20 0.35
KDM4E B2RXH2 5/20 0.35
TP53 P04637 4/20 0.35
ALDH1A1 P00352 4/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 4/20 0.33
HSD17B10 Q99714 3/20 0.33
STAT3 P40763 3/20 0.33
MITF O75030 2/20 0.33
BPTF Q12830 1/20 0.33
SDHB P21912 3/20 0.32
RAB9A P51151 3/20 0.32
S1PR4 O95977 2/20 0.32
S1PR1 P21453 2/20 0.32
MAPK1 P28482 2/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL1067726 0.85 SMN1; SMN2 (1.00) LMNASMN1; SMN2NPSR1HPGDKMT2A
SCHEMBL6561352 0.74 SMN1; SMN2 (0.78) LMNASMN1; SMN2NPSR1HPGDKMT2A
SCHEMBL5360302 0.74 LMNA (0.78) LMNASMN1; SMN2NPSR1HPGDKMT2A
SCHEMBL8666206 0.74 SMN1; SMN2 (0.78) LMNASMN1; SMN2NPSR1HPGDKMT2A
SCHEMBL6806477 0.73 LMNA (0.75) LMNASMN1; SMN2NPSR1HPGDKMT2A
SCHEMBL9432915 0.73 LMNA (0.73) LMNASMN1; SMN2NPSR1HPGDKMT2A
SCHEMBL8953787 0.72 SMN1; SMN2 (0.62) LMNASMN1; SMN2NPSR1HPGDKMT2A
SCHEMBL9903777 0.72 LMNA (0.62) LMNASMN1; SMN2NPSR1HPGDKMT2A
SCHEMBL9902644 0.72 LMNA (0.62) LMNASMN1; SMN2NPSR1HPGDKMT2A
SCHEMBL14026680 0.72 PDE2A (0.45) LMNASMN1; SMN2KDM4EALDH1A1NNMT

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
EP-2118073-A2 SELECTIVE ENDOTHELIN TYPE-A ANTAGONISTS Concert Pharmaceuticals Inc. (US) 2009-11-18 EP disclosed
US-20080262006-A1 Selective endothelin type-a antagonists CONCERT PHARMACEUTICALS, INC. 2008-10-23 US disclosed
US-20080262006-A1 Selective endothelin type-a antagonists CONCERT PHARMACEUTICALS, INC. 2008-10-23 US disclosed
WO-2008097468-A2 SELECTIVE ENDOTHELIN TYPE-A ANTAGONISTS CONCERT PHARMACEUTICALS, INC. (US) 2008-08-14 WO 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-20080262006-A1 Selective endothelin type-a antagonists EDNRA, EDNRB, ECE1 LMNA 1125/4885SMN1; SMN2 3421/4885NPSR1 86/4885

“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.