SCHEMBL4872809

SCHEMBL4872809

COc1cccc([C@]2(CNS(=O)(=O)NC(=O)O)CC[C@@H](N3CCN(C)CC3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 7/20 0.47
CHRM5 P08912 3/20 0.41
CHRM1 P11229 3/20 0.41
CHRM3 P20309 3/20 0.41
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TACR1 P25103 1/20 0.40
SLC6A4 P31645 1/20 0.40
CCR3 P51677 1/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL4872820 1.00 SOAT1 (0.47) SOAT1CHRM5CHRM1CHRM3KMT2A
SCHEMBL4877679 0.87 SOAT1 (0.46) SOAT1KMT2AALDH1A1TACR1SLC6A4
SCHEMBL4877681 0.87 SOAT1 (0.46) SOAT1KMT2AALDH1A1TACR1SLC6A4
Hydrochloric Acid SCHEMBL4878711 0.85 SOAT1 (0.45) SOAT1KMT2AALDH1A1TACR1SLC6A4
Hydrochloric Acid SCHEMBL4878702 0.85 SOAT1 (0.45) SOAT1KMT2AALDH1A1TACR1SLC6A4
SCHEMBL5772984 0.85 SOAT1 (0.46) SOAT1KMT2AALDH1A1TACR1SLC6A4
SCHEMBL5772979 0.85 SOAT1 (0.46) SOAT1KMT2AALDH1A1TACR1SLC6A4
SCHEMBL4880411 0.84 ALDH1A1 (0.44) SOAT1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4880406 0.84 ALDH1A1 (0.44) SOAT1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4878278 0.79 SOAT1 (0.48) SOAT1CHRM5CHRM1CHRM3KMT2A

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-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 SOAT1 502/4885CHRM5 1097/4885CHRM1 817/4885

“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.