SCHEMBL13409104

SCHEMBL13409104

CC(=O)N1CCN(S(=O)(=O)c2ccccc2)C1C(C)C

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.73
L3MBTL1 Q9Y468 3/20 0.66
CYP3A4 P08684 2/20 0.66
CYP2C19 P33261 2/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
POLB P06746 2/20 0.62
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 5/20 0.52
USP2 O75604 1/20 0.47
RAB9A P51151 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.46

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
SCHEMBL13390982 0.88 TSHR (0.71) TSHRL3MBTL1CYP3A4CYP2C19CYP2D6
SCHEMBL26848353 0.73 L3MBTL1 (0.62) TSHRL3MBTL1CYP3A4CYP2C19MEN1
SCHEMBL26814652 0.70 L3MBTL1 (0.57) TSHRL3MBTL1CYP3A4CYP2C19CYP2D6
SCHEMBL27331238 0.70 TSHR (0.66) TSHRL3MBTL1CYP3A4CYP2C19CYP2D6
SCHEMBL7129560 0.69 TSHR (0.65) TSHRL3MBTL1CYP3A4CYP2C19CYP2D6
SCHEMBL7129555 0.69 TSHR (0.65) TSHRL3MBTL1CYP3A4CYP2C19CYP2D6
SCHEMBL20008962 0.69 L3MBTL1 (0.64) TSHRL3MBTL1CYP3A4CYP2C19CYP2D6
SCHEMBL4943200 0.69 L3MBTL1 (0.64) TSHRL3MBTL1CYP3A4CYP2C19MEN1
SCHEMBL26971194 0.69 TSHR (0.59) TSHRL3MBTL1CYP3A4CYP2C19CYP2D6
SCHEMBL7346677 0.69 MMP1 (0.54) TSHRL3MBTL1CYP3A4CYP2C19MEN1

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-20100093747-A1 METHOD OF INDUCING NEGATIVE CHEMOTAXIS CELTAXSYS, INC. 2010-04-15 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-20100093747-A1 METHOD OF INDUCING NEGATIVE CHEMOTAXIS PMAIP1, CDC42, DCX TSHR 4209/4885L3MBTL1 1285/4885CYP3A4 4780/4885

“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.