SCHEMBL21714165

SCHEMBL21714165

CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N2CCC(c3ccnc4[nH]ccc34)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 9/20 0.59
▸ JAK2 O60674 7/20 0.59
▸ TYK2 P29597 5/20 0.59
▸ JAK3 P52333 3/20 0.59
▸ ATR Q13535 1/20 0.46
▸ ATRIP Q8WXE1 1/20 0.46
▸ SCN9A Q15858 1/20 0.45
▸ CCNT1 O60563 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ GPR119 Q8TDV5 5/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ STS P08842 1/20 0.42
▸ CHEK1 O14757 1/20 0.41
▸ PDCD1 Q15116 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL29431229 0.91 JAK1 (0.66) JAK1JAK2TYK2JAK3ATR
SCHEMBL29431228 0.91 JAK1 (0.66) JAK1JAK2TYK2JAK3ATR
SCHEMBL21714188 0.86 HSD11B1 (0.54) JAK1JAK2TYK2JAK3SCN9A
SCHEMBL21714335 0.85 JAK1 (0.61) JAK1JAK2TYK2JAK3ATR
SCHEMBL21714104 0.83 GPR119 (0.48) JAK1JAK2TYK2JAK3SCN9A
SCHEMBL21714519 0.81 HSD11B1 (0.55) JAK1JAK2TYK2JAK3
SCHEMBL21714146 0.80 CCNT1 (0.61) JAK1JAK2TYK2JAK3ATR
SCHEMBL12613363 0.79 JAK1 (0.58) JAK1JAK2TYK2JAK3GPR119
SCHEMBL20111931 0.79 HSD11B1 (0.54) JAK1JAK2TYK2JAK3
SCHEMBL23153249 0.77 JAK2 (0.47) JAK1JAK2TYK2JAK3CCNT1

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 JAK1 119/4885JAK2 143/4885TYK2 3517/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO JAK1 107/4885JAK2 148/4885TYK2 3443/4885

“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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