SCHEMBL26806751

SCHEMBL26806751

CC(C)c1ccccc1-c1cc(Oc2ccc(C(O)CN(C)C)cc2)nc(NS(=O)(=O)c2cccc(N)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ PIK3C2B O00750 1/20 0.33
▸ PIK3C2G O75747 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ PLAU P00749 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ F2 P00734 2/20 0.32
▸ PRSS1 P07477 2/20 0.32
▸ PRSS2 P07478 2/20 0.32
▸ PRSS3 P35030 2/20 0.32
▸ F10 P00742 1/20 0.31
▸ ST14 Q9Y5Y6 1/20 0.31
▸ ADRB2 P07550 1/20 0.31

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
SCHEMBL26806726 0.87 POLB (0.43) LMNAPOLBPIK3C2BPIK3C2GMAPT
SCHEMBL26806750 0.86 LMNA (0.38) LMNAPOLBALDH1A1PIK3C2BPIK3C2G
SCHEMBL26806752 0.86 NPY5R (0.39) POLBALDH1A1PIK3C2BPIK3C2GMAPT
SCHEMBL26806738 0.86 HTR6 (0.38) LMNAPOLBALDH1A1PIK3C2BPIK3C2G
SCHEMBL26806724 0.85 KMT2A (0.39) POLBPIK3C2BPIK3C2GMAPTPLAU
SCHEMBL26806758 0.85 MEN1 (0.39) POLBPIK3C2BPIK3C2GMAPTPLAU
SCHEMBL26806721 0.84 PIK3C2B (0.39) LMNAPOLBALDH1A1PIK3C2BPIK3C2G
SCHEMBL26806627 0.83 CHEK1 (0.36) LMNAPOLBALDH1A1PIK3C2BPIK3C2G
SCHEMBL26806725 0.83 PGR (0.43) LMNAPOLBALDH1A1PIK3C2BPIK3C2G
SCHEMBL24310444 0.82 NAT1 (0.38) LMNAPOLBALDH1A1PIK3C2BPIK3C2G

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 LMNA 4052/4885POLB 3593/4885ALDH1A1 3992/4885

“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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