SCHEMBL20111957

SCHEMBL20111957

COC(=O)c1cnc2c(c1)c(C1CCN(C(=O)OC(C)(C)C)CC1)cn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.44
▸ GPR119 Q8TDV5 10/20 0.43
▸ MMP13 P45452 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ STS P08842 1/20 0.40
▸ LMNA P02545 1/20 0.39

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
SCHEMBL24330045 0.88 GPR119 (0.45) SCN9AGPR119MMP13CYP3A4
SCHEMBL20780054 0.85 TP53 (0.45) KMT2AEPHX2LMNA
SCHEMBL20111956 0.84 HTR6 (0.43) CYP3A4
Hydrochloric Acid SCHEMBL21714304 0.83 HTR6 (0.42) KMT2ACYP3A4
SCHEMBL20111995 0.81 HTR6 (0.57) SCN9AGPR119JAK1
SCHEMBL16610232 0.79 SCN9A (0.44) SCN9AGPR119MMP13EPHX2
SCHEMBL20780056 0.79 SCN9A (0.42) SCN9AGPR119KMT2AJAK2JAK1
SCHEMBL22776412 0.78 SMARCA2 (0.47) SCN9AGPR119MMP13JAK2JAK3
SCHEMBL1570643 0.78 HTR6 (0.58) SCN9A
SCHEMBL15556996 0.77 BRD4 (0.40) GPR119MMP13KMT2AJAK2JAK3

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 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 SCN9A 3970/4885GPR119 276/4885MMP13 1836/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO SCN9A 3915/4885GPR119 261/4885MMP13 1886/4885

“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.

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