SCHEMBL26807639

SCHEMBL26807639

Cc1ccccc1Oc1cc([C@@H]2C[C@@H]2c2ccccc2)nc(NS(=O)(=O)c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GAA P10253 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ THRB P10828 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYTH2 Q99418 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ CHRNA7 P36544 2/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ SCN9A Q15858 2/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL29567360 0.89 HTR1A (0.40) TSHRSMN1; SMN2THRBCHRNA7HTR1A
SCHEMBL24310322 0.89 HTR1A (0.40) TSHRSMN1; SMN2THRBCHRNA7HTR1A
SCHEMBL26806947 0.79 MAPT (0.55) TSHRSMN1; SMN2GAAPKMTHRB
SCHEMBL29566989 0.78 NUDT1 (0.43) TSHRSMN1; SMN2
SCHEMBL24310321 0.78 NUDT1 (0.43) TSHRSMN1; SMN2
SCHEMBL24309816 0.78 NUDT1 (0.43) TSHRSMN1; SMN2
SCHEMBL26807604 0.78 TSHR (0.43) TSHRSMN1; SMN2GAAPKMTHRB
SCHEMBL24310599 0.77 TSHR (0.51) TSHRSMN1; SMN2GAAPKMTHRB
SCHEMBL26807641 0.76 TSHR (0.48) TSHRSMN1; SMN2GAAPKMTHRB
SCHEMBL24310323 0.73 — —

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 TSHR 1755/4885SMN1; SMN2 4847/4885GAA 904/4885

“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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