SCHEMBL21714546

SCHEMBL21714546

Cc1ccccc1C1CCN(S(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.46
TRPV1 Q8NER1 1/20 0.43
ADAM10 O14672 4/20 0.42
MMP2 P08253 2/20 0.42
STS P08842 1/20 0.42
EPHX2 P34913 2/20 0.42
TGFBR1 P36897 1/20 0.41
MMP1 P03956 1/20 0.41
NAMPT P43490 1/20 0.41
FAAH O00519 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
SCHEMBL21714368 0.88 EPHX2 (0.51) GPR119EPHX2
SCHEMBL21714221 0.86 USP30 (0.46) GPR119STSEPHX2
SCHEMBL23130983 0.86 GPR119 (0.50) GPR119MMP2STSNAMPT
SCHEMBL3436365 0.84 GPR119 (0.58) GPR119TRPV1NAMPTFAAH
SCHEMBL21714287 0.82 KDM4E (0.55)
SCHEMBL3436375 0.82 HSD11B1 (0.54) GPR119TRPV1NAMPT
SCHEMBL21714454 0.81 GPR119 (0.43) GPR119
SCHEMBL17679904 0.81 KDM4E (0.49) GPR119NAMPT
SCHEMBL21714099 0.80 STS (0.50) GPR119STSNAMPT
SCHEMBL21714467 0.80 NAMPT (0.47) GPR119NAMPT

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 GPR119 276/4885TRPV1 4757/4885ADAM10 4130/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO GPR119 261/4885TRPV1 4781/4885ADAM10 4035/4885

“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.