SCHEMBL21714539

SCHEMBL21714539

CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N2CCC(c3c[nH]c4ccccc34)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
BRD4 O60885 1/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
CREBBP Q92793 1/20 0.58
HSD11B1 P28845 2/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
ATM Q13315 1/20 0.45
CHRM4 P08173 1/20 0.44
NAMPT P43490 1/20 0.43
KMT2A Q03164 1/20 0.43
CCR2 P41597 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL21714287 0.92 KDM4E (0.55) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL557776 0.91 KDM4E (0.70) KDM4EBRD4ALDH1A1POLBCREBBP
Hydrochloric Acid SCHEMBL1703924 0.90 KDM4E (0.68) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL21714188 0.85 HSD11B1 (0.54) HSD11B1JAK2JAK1TYK2JAK3
SCHEMBL14181451 0.84 KDM4E (0.63) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL18324713 0.82 KDM4E (0.60) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL27154163 0.81 GPR119 (0.47) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5946897 0.80 CCR2 (0.68) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL21714568 0.80 NAMPT (0.58) KDM4EGPR119NAMPTMAPTTHRB
SCHEMBL21714519 0.80 HSD11B1 (0.55) HSD11B1JAK2JAK1TYK2JAK3

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 KDM4E 1971/4885BRD4 2464/4885ALDH1A1 336/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO KDM4E 1999/4885BRD4 2393/4885ALDH1A1 400/4885

“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.