SCHEMBL26811010

SCHEMBL26811010

CC(C)(C)OC(=O)N1CCC(c2cc(Oc3ccccc3)nc(NS(=O)(=O)c3ccccc3)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 14/20 0.52
▸ LIMK2 P53671 1/20 0.48
▸ STS P08842 3/20 0.45
▸ PRMT5 O14744 1/20 0.44

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
SCHEMBL26811032 0.82 TSHR (0.50) —
SCHEMBL26807881 0.82 TGFBR1 (0.49) TGFBR1
SCHEMBL26811002 0.81 TSHR (0.46) —
SCHEMBL26811019 0.80 GRM1 (0.49) TGFBR1
SCHEMBL26811003 0.80 TSHR (0.48) —
SCHEMBL26811034 0.80 TSHR (0.47) —
SCHEMBL24309955 0.78 TSHR (0.46) —
SCHEMBL26811036 0.78 TSHR (0.46) —
SCHEMBL26865625 0.78 TSHR (0.46) PRMT5
SCHEMBL26810991 0.77 TSHR (0.43) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — 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 (1 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B TGFBR1 554/4885LIMK2 3726/4885STS 3205/4885

“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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