SCHEMBL4877841

SCHEMBL4877841

COc1cccc(C2(CNS(N)(=O)=O)CCC(NC(C)c3ccccc3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
NPY1R P25929 4/20 0.41
SOAT1 P35610 9/20 0.40
SLC6A4 P31645 3/20 0.40
KCNH2 Q12809 2/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
AVPR1A P37288 1/20 0.38
AVPR1B P47901 1/20 0.38
KCNA3 P22001 2/20 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
SCHEMBL4877835 1.00 ALDH1A1 (0.42) ALDH1A1NPY1RSOAT1SLC6A4KCNH2
SCHEMBL4875901 0.95 NPY1R (0.40) ALDH1A1NPY1RSOAT1SLC6A4KCNH2
SCHEMBL4875891 0.95 NPY1R (0.40) ALDH1A1NPY1RSOAT1SLC6A4KCNH2
Hydrochloric Acid SCHEMBL4868441 0.94 NPY1R (0.40) ALDH1A1NPY1RSOAT1SLC6A4KCNH2
Hydrochloric Acid SCHEMBL4868453 0.94 NPY1R (0.40) ALDH1A1NPY1RSOAT1SLC6A4KCNH2
SCHEMBL4880590 0.83 ALDH1A1 (0.48) ALDH1A1OPRM1OPRL1KCNA3
SCHEMBL4876619 0.83 ALDH1A1 (0.41) ALDH1A1SOAT1OPRM1OPRD1OPRK1
SCHEMBL4880601 0.83 ALDH1A1 (0.48) ALDH1A1OPRM1OPRL1KCNA3
SCHEMBL4876613 0.83 ALDH1A1 (0.41) ALDH1A1SOAT1OPRM1OPRD1OPRK1
SCHEMBL4881333 0.83 NPY1R (0.40) ALDH1A1NPY1RSOAT1SLC6A4KCNH2

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 ALDH1A1 2899/4885NPY1R 338/4885SOAT1 502/4885

“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.