SCHEMBL26811119

SCHEMBL26811119

O=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2ccccc2OCC(F)(F)F)n1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.44
▸ TSHR P16473 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GPR39 O43194 1/20 0.42
▸ PGR P06401 2/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ AR P10275 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ NAT1 P18440 1/20 0.40
▸ BLM P54132 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL26810948 0.85 TSHR (0.55) TSHRSMN1; SMN2GPR39PGRNAT1
SCHEMBL26810994 0.84 GPR39 (0.47) SCN9ATSHRSMN1; SMN2GPR39PGR
SCHEMBL24310012 0.82 TSHR (0.46) TSHRSMN1; SMN2GPR39PGRNAT1
SCHEMBL29566878 0.82 TSHR (0.46) TSHRSMN1; SMN2GPR39PGRNAT1
SCHEMBL26811084 0.81 MAPT (0.50) SCN9ATSHRSMN1; SMN2GPR39PGR
SCHEMBL26810832 0.80 TSHR (0.50) TSHRSMN1; SMN2PGRMAPTKDM4E
SCHEMBL26810953 0.80 TSHR (0.48) TSHRSMN1; SMN2GPR39PGRNAT1
SCHEMBL26810957 0.80 TSHR (0.54) TSHRSMN1; SMN2GPR39PGRNAT1
SCHEMBL26810785 0.80 TSHR (0.48) TSHRSMN1; SMN2GPR39PGRNAT1
SCHEMBL26810932 0.80 MAPT (0.47) SCN9ATSHRSMN1; SMN2GPR39PGR

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 SCN9A 385/4885TSHR 1755/4885SMN1; SMN2 4847/4885

“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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