SCHEMBL21714219

SCHEMBL21714219

Cc1ccc(S(=O)(=O)n2ccc3c(C4=CCN(S(=O)(=O)C5CCN(C(=O)OC(C)(C)C)CC5)CC4)ccnc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.51
▸ CDK9 P50750 1/20 0.51
▸ HTR6 P50406 2/20 0.44
▸ GPR119 Q8TDV5 13/20 0.40
▸ MMP13 P45452 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL21714346 0.89 CCNT1 (0.45) CCNT1CDK9HTR6GPR119MMP13
SCHEMBL21714212 0.84 HTR6 (0.48) CCNT1CDK9HTR6GPR119MMP13
SCHEMBL21714350 0.83 GPR119 (0.41) CCNT1CDK9HTR6GPR119MMP13
SCHEMBL2800073 0.81 HTR6 (0.65) CCNT1CDK9HTR6GPR119SCN9A
SCHEMBL21714146 0.79 CCNT1 (0.61) CCNT1CDK9GPR119
SCHEMBL21714258 0.78 GPR119 (0.42) HTR6GPR119MMP13CYP3A4
SCHEMBL17583115 0.73 GPR119 (0.60) HTR6GPR119MMP13CYP3A4
SCHEMBL21714363 0.72 CCNT1 (0.50) CCNT1CDK9HTR6GPR119SCN9A
SCHEMBL27644853 0.72 HTR6 (0.45) CCNT1CDK9HTR6
SCHEMBL21714582 0.71 CCNT1 (0.49) CCNT1CDK9HTR6GPR119SCN9A

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 5 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 claimed
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2020-02-20 — — US claimed
US-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 — — US disclosed
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 CCNT1 2705/4885CDK9 1396/4885HTR6 2585/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO CCNT1 2652/4885CDK9 1409/4885HTR6 2503/4885

“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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