SCHEMBL7128095

SCHEMBL7128095

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.52
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
PKLR P30613 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MMP1 P03956 10/20 0.49
MMP3 P08254 10/20 0.49
MMP7 P09237 7/20 0.49
MMP9 P14780 6/20 0.49
MMP2 P08253 5/20 0.49
MMP13 P45452 3/20 0.49
MMP8 P22894 3/20 0.49
ADAM17 P78536 2/20 0.49
MMP12 P39900 1/20 0.49
MMP14 P50281 1/20 0.49

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
SCHEMBL7128097 1.00 HSD11B1 (0.52) HSD11B1NPC1PKMPKLRRAB9A
SCHEMBL7119448 0.84 ELANE (0.51) NPC1PKMRAB9AALDH1A1MMP2
SCHEMBL7119451 0.84 ELANE (0.51) NPC1PKMRAB9AALDH1A1MMP2
SCHEMBL7118507 0.82 MAPT (0.52) PKMALDH1A1CYP3A4CYP2C19MMP2
SCHEMBL7118504 0.82 MAPT (0.52) PKMALDH1A1CYP3A4CYP2C19MMP2
SCHEMBL7153336 0.82 L3MBTL1 (0.56) RAB9AALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL7153332 0.82 L3MBTL1 (0.56) RAB9AALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL7056093 0.81 MMP1 (0.62) MMP1MMP3MMP7MMP9MMP2
SCHEMBL7059059 0.81 MMP1 (0.50) HSD11B1MMP1MMP3MMP7MMP9
SCHEMBL18988595 0.79 HSD11B1 (0.51) HSD11B1NPC1PKMPKLRRAB9A

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 1108/4885NPC1 2709/4885PKM 4399/4885

“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.