SCHEMBL4871823

SCHEMBL4871823

COc1cccc([C@]2(CNS(C)(=O)=O)CC[C@@H](N)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
SOAT1 P35610 10/20 0.42
ALDH1A1 P00352 2/20 0.42
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC22A1 O15245 1/20 0.40

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
SCHEMBL4871837 1.00 KDM1A (0.44) KDM1AMTNR1AMTNR1BSOAT1ALDH1A1
SCHEMBL4880411 0.85 ALDH1A1 (0.44) KDM1ASOAT1ALDH1A1SLC22A1
SCHEMBL4880406 0.85 ALDH1A1 (0.44) KDM1ASOAT1ALDH1A1SLC22A1
SCHEMBL14194844 0.83 HTR2C (0.39) KDM1AMTNR1AMTNR1BSOAT1ALDH1A1
Hydrochloric Acid SCHEMBL4873584 0.82 HTR2C (0.40) KDM1AMTNR1AMTNR1BSOAT1ALDH1A1
SCHEMBL4877681 0.82 SOAT1 (0.46) MTNR1AMTNR1BSOAT1ALDH1A1SLC6A4
Hydrochloric Acid SCHEMBL4873569 0.82 HTR2C (0.40) KDM1AMTNR1AMTNR1BSOAT1ALDH1A1
SCHEMBL4880910 0.82 SOAT1 (0.46) KDM1AMTNR1AMTNR1BSOAT1ALDH1A1
SCHEMBL4877679 0.82 SOAT1 (0.46) MTNR1AMTNR1BSOAT1ALDH1A1SLC6A4
SCHEMBL4880915 0.82 SOAT1 (0.46) KDM1AMTNR1AMTNR1BSOAT1ALDH1A1

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 KDM1A 1932/4885MTNR1A 174/4885MTNR1B 283/4885

“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.