SCHEMBL20111657

SCHEMBL20111657

Cc1ccc(S(=O)(=O)n2cc(Br)c3nccnc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
L3MBTL1 Q9Y468 4/20 0.50
HTT P42858 3/20 0.43
POLB P06746 1/20 0.43
ALDH3A1 P30838 1/20 0.43
NOD1 Q9Y239 1/20 0.43
CKS1B P61024 2/20 0.40
SKP2 Q13309 2/20 0.40
COMT P21964 2/20 0.39
GAA P10253 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
KDM4E B2RXH2 2/20 0.38
UBE2N P61088 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL29604813 1.00 CA1 (0.51) CA1CA2L3MBTL1HTTPOLB
SCHEMBL29604888 0.89 CA1 (0.47) CA1CA2L3MBTL1HTTPOLB
SCHEMBL29605868 0.87 L3MBTL1 (0.49) CA1CA2L3MBTL1HTTPOLB
SCHEMBL16178845 0.85 L3MBTL1 (0.52) CA1CA2L3MBTL1HTTPOLB
SCHEMBL956933 0.85 CYP2C19 (0.49) L3MBTL1HTTALDH1A1LMNASMN1; SMN2
SCHEMBL5924321 0.83 L3MBTL1 (0.50) CA1CA2L3MBTL1HTTPOLB
SCHEMBL16178874 0.82 CA1 (0.48) CA1CA2L3MBTL1HTTPOLB
SCHEMBL25238794 0.82 CA1 (0.50) CA1CA2L3MBTL1HTTPOLB
SCHEMBL1668563 0.81 L3MBTL1 (0.58) CA1CA2L3MBTL1HTTPOLB
SCHEMBL29605064 0.81 CA1 (0.49) CA1CA2L3MBTL1HTTPOLB

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 CA1 3738/4885CA2 3999/4885L3MBTL1 1754/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO CA1 3583/4885CA2 3934/4885L3MBTL1 1667/4885

“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.