SCHEMBL18547769

SCHEMBL18547769

O=C(O)c1ccc(S(=O)(=O)Cl)o1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
POLB P06746 3/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.40
ESR1 P03372 1/20 0.39
NR4A1 P22736 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
ESR2 Q92731 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39

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
SCHEMBL8051749 0.83 ALDH1A1 (0.41) TDP1ALDH1A1HTT
SCHEMBL30511184 0.83 TDP1 (0.56) TDP1POLBKMT2AALDH1A1MEN1
SCHEMBL6427157 0.81 TDP1 (0.54) TDP1POLBKMT2AALDH1A1MEN1
SCHEMBL568367 0.79 TDP1 (0.53) TDP1POLBKMT2AALDH1A1MEN1
SCHEMBL15013774 0.79 ALDH1A1 (0.62) TDP1POLBALDH1A1HTTHPGD
SCHEMBL8051710 0.78 TDP1 (0.51) TDP1POLBKMT2AALDH1A1MEN1
SCHEMBL490373 0.77 ALDH1A1 (0.70) POLBKMT2AALDH1A1MEN1NPSR1
SCHEMBL24462107 0.76 TDP1 (0.50) TDP1POLBKMT2AALDH1A1MEN1
SCHEMBL24462029 0.76 TDP1 (0.50) TDP1POLBKMT2AALDH1A1MEN1
SCHEMBL6470457 0.75 TDP1 (0.49) TDP1POLBKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-01-31 US disclosed
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2018-11-06 US disclosed
CN-107428696-A Sulfonylureas and related compounds and uses thereof 昆士兰大学 2017-12-01 CN disclosed
US-9682940-B2 Indazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US disclosed
WO-2017035114-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO disclosed
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 US disclosed
US-20170057925-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 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 (4 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-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 TDP1 2916/4885POLB 3443/4885KMT2A 3436/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 TDP1 2928/4885POLB 3426/4885KMT2A 3421/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 TDP1 2928/4885POLB 3426/4885KMT2A 3421/4885
US-20170057925-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 TDP1 2868/4885POLB 4446/4885KMT2A 3886/4885

“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.