SCHEMBL21714580

SCHEMBL21714580

CC(C)(C)OC(=O)N1CC(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)C1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
HTR2B P41595 4/20 0.51
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL992227 0.87 HTR2B (0.59) HTR2BSMN1; SMN2POLBMAPTHSD17B10
SCHEMBL24067409 0.84 HTR2B (0.59) HTR2BSMN1; SMN2POLBMAPTHSD17B10
SCHEMBL19408169 0.82 HPGDS (0.57) HTR2BSMN1; SMN2POLB
SCHEMBL762565 0.82 HPGDS (0.57) HTR2BSMN1; SMN2POLB
SCHEMBL739188 0.82 HPGDS (0.57) HTR2BSMN1; SMN2POLB
SCHEMBL23130983 0.79 GPR119 (0.50) MAPT
SCHEMBL742770 0.79 HTR2B (0.50) HTR2BSMN1; SMN2POLBMAPTHSD17B10
SCHEMBL21714120 0.79 UBE2M (0.51) KMT2ASMN1; SMN2POLBMAPTHSD17B10
SCHEMBL21714287 0.78 KDM4E (0.55) KMT2APOLB
SCHEMBL21714546 0.77 GPR119 (0.46)

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 KMT2A 1842/4885HTR2B 3805/4885USP2 2488/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO KMT2A 1855/4885HTR2B 3768/4885USP2 2481/4885

“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.