SCHEMBL20111981

SCHEMBL20111981

Cc1ccc(S(=O)(=O)n2cc(C3=CCN(C(=O)OC(C)(C)C)CC3)c3cncnc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.61
▸ PDK4 Q16654 1/20 0.45
▸ KIT P10721 2/20 0.45
▸ GPR119 Q8TDV5 1/20 0.43
▸ SCN9A Q15858 3/20 0.43
▸ GRM1 Q13255 7/20 0.43
▸ GRM5 P41594 6/20 0.42
▸ GABRP O00591 1/20 0.42
▸ GABRD O14764 1/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ GABRB1 P18505 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ GABRA2 P47869 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ GABRA4 P48169 1/20 0.42
▸ GABRE P78334 1/20 0.42
▸ GABRA6 Q16445 1/20 0.42

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
SCHEMBL21714212 0.88 HTR6 (0.48) HTR6GPR119SCN9A
SCHEMBL21714162 0.88 HTR6 (0.46) HTR6KIT
SCHEMBL20111995 0.85 HTR6 (0.57) HTR6PDK4KITGPR119SCN9A
SCHEMBL22777065 0.82 HTR6 (0.60) HTR6PDK4KITGPR119SCN9A
SCHEMBL18080760 0.82 HTR6 (0.64) HTR6PDK4KITGPR119SCN9A
SCHEMBL22777480 0.79 HTR6 (0.60) HTR6PDK4KITSCN9AGRM1
SCHEMBL30595922 0.79 KIT (0.49) HTR6PDK4KITGPR119SCN9A
SCHEMBL15555500 0.79 HTR6 (0.49) HTR6PDK4KITGPR119GRM1
SCHEMBL15599446 0.78 HTR6 (0.47) HTR6PDK4KITGPR119GRM1
SCHEMBL15599329 0.77 HTR6 (0.48) HTR6PDK4KITGPR119SCN9A

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 HTR6 2585/4885PDK4 3581/4885KIT 54/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO HTR6 2503/4885PDK4 3556/4885KIT 57/4885

“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.

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