SCHEMBL21714212

SCHEMBL21714212

Cc1ccc(S(=O)(=O)n2cc(C3=CCN(S(=O)(=O)C4CCN(C(=O)OC(C)(C)C)CC4)CC3)c3cncnc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.48
▸ CCNT1 O60563 1/20 0.45
▸ CDK9 P50750 1/20 0.45
▸ GPR119 Q8TDV5 14/20 0.41
▸ SCN9A Q15858 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ MMP13 P45452 1/20 0.37

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) HTR6GPR119SCN9A
SCHEMBL21714346 0.84 CCNT1 (0.45) HTR6CCNT1CDK9GPR119CYP3A4
SCHEMBL21714219 0.84 CCNT1 (0.51) HTR6CCNT1CDK9GPR119SCN9A
SCHEMBL21714162 0.78 HTR6 (0.46) HTR6
SCHEMBL21714217 0.78 CCNT1 (0.51) CCNT1CDK9GPR119SCN9ANAMPT
SCHEMBL20111995 0.74 HTR6 (0.57) HTR6CCNT1CDK9GPR119SCN9A
SCHEMBL21714258 0.74 GPR119 (0.42) HTR6GPR119CYP3A4MMP13
SCHEMBL22777065 0.72 HTR6 (0.60) HTR6GPR119SCN9A
SCHEMBL18080760 0.71 HTR6 (0.64) HTR6GPR119SCN9A
SCHEMBL21714146 0.71 CCNT1 (0.61) CCNT1CDK9GPR119

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 HTR6 2585/4885CCNT1 2705/4885CDK9 1396/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO HTR6 2503/4885CCNT1 2652/4885CDK9 1409/4885

“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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