SCHEMBL21714099

SCHEMBL21714099

CC(C)(C)OC(=O)N1CC(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STS P08842 5/20 0.50
GPR119 Q8TDV5 2/20 0.46
NAMPT P43490 1/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPSR1 Q6W5P4 2/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
USP30 Q70CQ3 1/20 0.45
PDE4B Q07343 1/20 0.42
CNR1 P21554 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL21714467 0.89 NAMPT (0.47) GPR119NAMPTMEN1KMT2APDE4B
SCHEMBL23130983 0.88 GPR119 (0.50) STSGPR119NAMPTLMNATP53
SCHEMBL21714666 0.88 STS (0.51) STSGPR119NAMPTMEN1KMT2A
SCHEMBL21714450 0.86 TP53 (0.49) GPR119NAMPTLMNATP53PDE4B
SCHEMBL21714270 0.86 GPR119 (0.49) GPR119NAMPTUSP30PDE4B
SCHEMBL8310737 0.84 NAMPT (0.60) STSGPR119NAMPTLMNATP53
SCHEMBL21714221 0.84 USP30 (0.46) STSGPR119TP53USP30CNR1
SCHEMBL21714436 0.82 CCR1 (0.44) NAMPTLMNATP53USP30SMN1; SMN2
SCHEMBL22988918 0.82 PDE4B (0.58) STSNAMPTLMNATP53MEN1
SCHEMBL12279642 0.82 PDE4B (0.58) STSNAMPTLMNATP53MEN1

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 STS 2834/4885GPR119 276/4885NAMPT 3068/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO STS 2904/4885GPR119 261/4885NAMPT 3126/4885

“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.