SCHEMBL7121012

SCHEMBL7121012

COc1ccc(S(=O)(=O)N2C[C@@H]2C(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.56
MMP3 P08254 11/20 0.55
MMP1 P03956 10/20 0.55
MMP9 P14780 9/20 0.55
ADAM17 P78536 6/20 0.55
MMP7 P09237 4/20 0.55
MMP2 P08253 2/20 0.55
MMP13 P45452 2/20 0.55
MMP8 P22894 1/20 0.55
MMP12 P39900 1/20 0.55
MMP14 P50281 1/20 0.55
MMP16 P51512 1/20 0.55
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
PKLR P30613 1/20 0.54
RAB9A P51151 1/20 0.54
HTT P42858 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL7121014 1.00 HSD11B1 (0.56) HSD11B1MMP3MMP1MMP9ADAM17
SCHEMBL7130378 0.85 HSD11B1 (0.51) HSD11B1MMP3MMP1MMP9ADAM17
SCHEMBL7130375 0.85 HSD11B1 (0.51) HSD11B1MMP3MMP1MMP9ADAM17
SCHEMBL7130381 0.85 HSD11B1 (0.51) HSD11B1MMP3MMP1MMP9ADAM17
SCHEMBL7118462 0.82 L3MBTL1 (0.50) MMP2PKMHTTALDH1A1CYP3A4
SCHEMBL21465092 0.82 L3MBTL1 (0.50) MMP2PKMHTTALDH1A1CYP3A4
SCHEMBL7118457 0.82 L3MBTL1 (0.50) MMP2PKMHTTALDH1A1CYP3A4
SCHEMBL7125327 0.81 TRPA1 (0.48) MMP2PKMALDH1A1CYP3A4CYP2C19
SCHEMBL7125321 0.81 TRPA1 (0.48) MMP2PKMALDH1A1CYP3A4CYP2C19
SCHEMBL7129560 0.80 TSHR (0.65) MMP3MMP1MMP9ADAM17MMP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153771-A1 Large scale synthesis of optically pure aziridines LEXICON PHARMACEUTICALS, INC. 2003-08-14 US 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-20030153771-A1 Large scale synthesis of optically pure aziridines QDPR, AZI2, NISCH HSD11B1 1108/4885MMP3 4096/4885MMP1 4314/4885

“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.