SCHEMBL21714346

SCHEMBL21714346

Cc1ccc(S(=O)(=O)n2ccc3c(C4=CCN(S(=O)(=O)C5CCN(C(=O)OC(C)(C)C)CC5)CC4)ncnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.45
▸ CDK9 P50750 1/20 0.45
▸ KIT P10721 1/20 0.43
▸ GPR119 Q8TDV5 14/20 0.42
▸ HTR6 P50406 2/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ MMP13 P45452 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
SCHEMBL21714219 0.89 CCNT1 (0.51) CCNT1CDK9GPR119HTR6CYP3A4
SCHEMBL21714212 0.84 HTR6 (0.48) CCNT1CDK9GPR119HTR6CYP3A4
SCHEMBL21714258 0.83 GPR119 (0.42) GPR119HTR6CYP3A4MMP13
SCHEMBL23322330 0.79 MET (0.47) GPR119CYP3A4MMP13
SCHEMBL21714350 0.79 GPR119 (0.41) CCNT1CDK9GPR119HTR6MMP13
SCHEMBL17583115 0.78 GPR119 (0.60) GPR119HTR6CYP3A4MMP13
SCHEMBL21714463 0.78 CCNT1 (0.52) CCNT1CDK9GPR119
SCHEMBL28970123 0.76 GPR119 (0.38) KITGPR119HTR6CYP3A4
SCHEMBL10228635 0.75 GPR119 (0.55) GPR119HTR6CYP3A4
SCHEMBL6128795 0.75 GPR119 (0.55) GPR119HTR6CYP3A4

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 1396/4885KIT 54/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO CCNT1 2652/4885CDK9 1409/4885KIT 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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