SCHEMBL7129560

SCHEMBL7129560

CC(C)C1CN1S(=O)(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.61
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.54
RAB9A P51151 1/20 0.54
MEN1 O00255 1/20 0.46
ACHE P22303 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
MMP16 P51512 1/20 0.44
ADAM17 P78536 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43

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
SCHEMBL7129555 1.00 TSHR (0.65) TSHRL3MBTL1KMT2AALDH1A1RAB9A
SCHEMBL7118457 0.84 L3MBTL1 (0.50) TSHRL3MBTL1KMT2AALDH1A1ACHE
SCHEMBL7118462 0.84 L3MBTL1 (0.50) TSHRL3MBTL1KMT2AALDH1A1ACHE
SCHEMBL21465092 0.84 L3MBTL1 (0.50) TSHRL3MBTL1KMT2AALDH1A1ACHE
SCHEMBL7117845 0.83 L3MBTL1 (0.54) TSHRL3MBTL1KMT2AALDH1A1RAB9A
SCHEMBL7117834 0.83 L3MBTL1 (0.54) TSHRL3MBTL1KMT2AALDH1A1RAB9A
SCHEMBL7117840 0.83 L3MBTL1 (0.54) TSHRL3MBTL1KMT2AALDH1A1RAB9A
SCHEMBL7125321 0.83 TRPA1 (0.48) TSHRL3MBTL1KMT2AALDH1A1MEN1
SCHEMBL27331238 0.83 TSHR (0.66) TSHRL3MBTL1KMT2AALDH1A1RAB9A
SCHEMBL7125327 0.83 TRPA1 (0.48) TSHRL3MBTL1KMT2AALDH1A1MEN1

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 TSHR 2216/4885L3MBTL1 4877/4885KMT2A 2177/4885

“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.