SCHEMBL26806775

SCHEMBL26806775

CC(C)c1ccccc1-c1cc(Oc2ccc(F)cc2F)nc(NS(=O)(=O)c2cccc(N)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.42
▸ HTR1A P08908 5/20 0.38
▸ HTR7 P34969 5/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ SCN9A Q15858 5/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ PIK3C2B O00750 1/20 0.35
▸ PIK3C2G O75747 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL26806777 0.94 TDP1 (0.40) BRD4HTR1AHTR7SCN9APOLB
SCHEMBL26806724 0.89 KMT2A (0.39) HTR1AHTR7SCN9APOLBMAPT
SCHEMBL26806723 0.88 PGR (0.39) HTR1AHTR7DRD2ADRA1DHTR2A
SCHEMBL26806753 0.88 TSHR (0.41) POLBMAPTPIK3C2BPIK3C2G
SCHEMBL26806749 0.87 POLB (0.38) HTR1AHTR7POLBMAPTPIK3C2B
SCHEMBL29567103 0.85 MAPT (0.47) BRD4HTR1AHTR7MAPK14MAPT
SCHEMBL26812759 0.85 MAPT (0.47) BRD4HTR1AHTR7MAPK14MAPT
SCHEMBL26806726 0.85 POLB (0.43) HTR6POLBMAPTPIK3C2BPIK3C2G
SCHEMBL26806731 0.85 SCN9A (0.41) SCN9A
SCHEMBL24309354 0.85 TDP1 (0.45) BRD4MAPK14SCN9AMAPTTDP1

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 BRD4 1716/4885HTR1A 4018/4885HTR7 3833/4885

“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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