SCHEMBL20111933

SCHEMBL20111933

O=S(=O)(C1CCN(c2ccccc2)CC1)N1CCC(c2ccncc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.51
TP53 P04637 4/20 0.49
LSS P48449 1/20 0.45
CYP17A1 P05093 3/20 0.42
CYP21A2 P08686 3/20 0.42
CYP11B1 P15538 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP19A1 P11511 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
GAA P10253 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
SCHEMBL23130905 0.80 TP53 (0.50) HSD11B1TP53FAAHCA12CA1
SCHEMBL20111932 0.78 TP53 (0.53) HSD11B1TP53CYP3A4
SCHEMBL21714113 0.77 NPC1 (0.56) TP53CYP3A4SMN1; SMN2MAPT
SCHEMBL21714408 0.77 FAAH (0.55) HSD11B1TP53CYP3A4CYP1A2CYP2D6
SCHEMBL28179062 0.76 CYP17A1 (0.46) LSSCYP17A1CYP21A2CYP11B1CYP3A4
SCHEMBL23130924 0.76 USP30 (0.51) HSD11B1TP53CYP3A4CYP1A2CYP2D6
SCHEMBL20111642 0.75 TP53 (0.53) HSD11B1TP53GAA
SCHEMBL7446491 0.74 MBTD1 (0.55) CYP1A2CYP2D6CYP2C9SMN1; SMN2
SCHEMBL21714502 0.74 LMNA (0.48) HSD11B1TP53CYP3A4CYP2D6CYP2C9
SCHEMBL27939689 0.73 CHRNB2 (0.51)

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 6 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-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
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2020-02-20 US disclosed
WO-2018078360-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2018-05-03 WO 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 HSD11B1 1272/4885TP53 1457/4885LSS 2397/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO HSD11B1 1185/4885TP53 1444/4885LSS 2404/4885

“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.