SCHEMBL4877607

SCHEMBL4877607

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
OPRD1 P41143 3/20 0.39
ADAM17 P78536 1/20 0.39
STS P08842 1/20 0.39
HTR2C P28335 1/20 0.38
KDM1A O60341 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
GRIN2B Q13224 1/20 0.38
OPRK1 P41145 1/20 0.38
SLC6A4 P31645 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
SCHEMBL4880364 0.87 HDAC4 (0.41) ALDH1A1OPRD1ADAM17STSKDM1A
SCHEMBL4878265 0.87 ALDH1A1 (0.43) ALDH1A1ADAM17STSKDM1ACA12
SCHEMBL4868377 0.87 ADAM17 (0.48) SIGMAR1ALDH1A1KDM4ELMNATSHR
SCHEMBL4877674 0.85 MEN1 (0.41) ALDH1A1ADAM17CA12CA1CA2
SCHEMBL4880013 0.84 ALDH1A1 (0.46) SIGMAR1ALDH1A1KDM4ELMNATSHR
SCHEMBL4876712 0.84 OPRD1 (0.46) ALDH1A1OPRD1STSCA12CA1
SCHEMBL4880541 0.82 SOAT1 (0.48) ALDH1A1OPRD1CA12CA1CA2
SCHEMBL4880472 0.81 STS (0.42) SIGMAR1ALDH1A1ADAM17STSKDM1A
SCHEMBL4877598 0.81 OPRD1 (0.41) ALDH1A1KDM4ELMNATSHROPRD1
SCHEMBL4874919 0.80 L3MBTL1 (0.39) ALDH1A1LMNATSHRADAM17CA12

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 SIGMAR1 298/4885ALDH1A1 2899/4885KDM4E 768/4885

“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.