SCHEMBL20111642

SCHEMBL20111642

CC1CC(S(=O)(=O)N2CCC(c3ccncc3)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.53
HSD11B1 P28845 3/20 0.46
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NAMPT P43490 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL2100499 0.80 TP53 (0.60) TP53HSD11B1LMNAKMT2AMAPK11
SCHEMBL20111932 0.79 TP53 (0.53) TP53HSD11B1LMNANAMPTTLR8
SCHEMBL23130905 0.76 TP53 (0.50) TP53HSD11B1LMNANAMPT
SCHEMBL21714502 0.76 LMNA (0.48) TP53HSD11B1LMNANAMPT
SCHEMBL20111933 0.75 HSD11B1 (0.51) TP53HSD11B1GAA
SCHEMBL21714394 0.73 GPR119 (0.49) TP53HSD11B1LMNATLR8TLR7
SCHEMBL23130981 0.73 LMNA (0.46) TP53LMNAGAA
SCHEMBL20111927 0.73 MEN1 (0.44) LMNAKMT2AMEN1TDP1
SCHEMBL21714450 0.72 TP53 (0.49) TP53LMNANAMPT
SCHEMBL21714084 0.72 TP53 (0.49) TP53HSD11B1LMNANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 US disclosed
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2020-02-20 US disclosed
WO-2018078360-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2018-05-03 WO 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 (2 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-10961238-B2 Modulators of hedgehog (Hh) signaling pathway SHH, GLI1, SMO TP53 1457/4885HSD11B1 1272/4885LMNA 4872/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO TP53 1444/4885HSD11B1 1185/4885LMNA 4877/4885

“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.