SCHEMBL21714480

SCHEMBL21714480

CC(C)(C)OC(=O)N1CC(S(=O)(=O)N2CCC(c3cnc4n3CCCC4)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.42
GPR119 Q8TDV5 12/20 0.40
PIK3CA P42336 2/20 0.37
PIK3R1 P27986 1/20 0.37
HPGDS O60760 1/20 0.37
AKT1 P31749 1/20 0.36
MTOR P42345 1/20 0.36
HPGD P15428 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
SCHEMBL21714152 0.97 GPR119 (0.40) F10GPR119PIK3CAPIK3R1HPGDS
SCHEMBL21714339 0.87 GPR119 (0.42) GPR119PIK3CAPIK3R1AKT1MTOR
SCHEMBL948718 0.87 HPGD (0.48) F10GPR119HPGDSHPGD
SCHEMBL21714410 0.77 GPR119 (0.43) F10GPR119PIK3CAAKT1MTOR
SCHEMBL23130932 0.76 F10 (0.44) F10GPR119HPGDS
SCHEMBL23130989 0.75 F10 (0.41) F10
SCHEMBL21714450 0.73 TP53 (0.49) GPR119
SCHEMBL23130983 0.73 GPR119 (0.50) GPR119
SCHEMBL21714312 0.73 HTT (0.46) GPR119HPGD
SCHEMBL21714340 0.73 GPR119 (0.46) GPR119PIK3CA

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 F10 4104/4885GPR119 276/4885PIK3CA 1657/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO F10 4093/4885GPR119 261/4885PIK3CA 1681/4885

“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.