SCHEMBL21714162

SCHEMBL21714162

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 7/20 0.46
▸ PTPN11 Q06124 1/20 0.39
▸ HSD11B1 P28845 2/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ GBA1 P04062 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL20111981 0.88 HTR6 (0.61) HTR6KIT
SCHEMBL21714212 0.78 HTR6 (0.48) HTR6
SCHEMBL31246045 0.74 HTR6 (0.48) HTR6PTPN11L3MBTL1ALDH1A1KDM4E
SCHEMBL20111995 0.72 HTR6 (0.57) HTR6PTPN11KIT
SCHEMBL13834845 0.71 BRD4 (0.45) HTR6PTPN11L3MBTL1TSHRALDH1A1
SCHEMBL5074943 0.71 CA1 (0.48) HTR6PTPN11L3MBTL1TSHRGAA
SCHEMBL23121219 0.71 EGLN1 (0.39) HSD11B1EGLN1TSHRALDH1A1GAA
SCHEMBL3318982 0.70 ALDH1A1 (0.38) EGLN1TSHRALDH1A1GAAALOX15
SCHEMBL29605374 0.69 L3MBTL1 (0.37) HTR6PTPN11DRD2L3MBTL1TSHR
SCHEMBL26969480 0.69 L3MBTL1 (0.37) HTR6PTPN11DRD2L3MBTL1TSHR

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 2 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

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 2585/4885PTPN11 1279/4885HSD11B1 1272/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO HTR6 2503/4885PTPN11 1286/4885HSD11B1 1185/4885

“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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