SCHEMBL26811084

SCHEMBL26811084

O=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2ccccc2-c2ccccc2)n1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.50
▸ TSHR P16473 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ NAT1 P18440 2/20 0.46
▸ PGR P06401 3/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ GPR39 O43194 1/20 0.43
▸ SCN9A Q15858 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HSD11B1 P28845 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40

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
SCHEMBL26806813 0.90 MAPT (0.61) MAPTTSHRSMN1; SMN2MEN1CYP1A2
SCHEMBL26811087 0.87 TSHR (0.46) MAPTTSHRSMN1; SMN2MEN1CYP1A2
SCHEMBL26810785 0.87 TSHR (0.48) MAPTTSHRSMN1; SMN2MEN1CYP1A2
SCHEMBL26810953 0.87 TSHR (0.48) MAPTTSHRSMN1; SMN2MEN1CYP1A2
SCHEMBL26810957 0.87 TSHR (0.54) MAPTTSHRSMN1; SMN2CYP1A2CYP2C9
SCHEMBL26810948 0.85 TSHR (0.55) TSHRSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL26811121 0.85 TSHR (0.46) MAPTTSHRSMN1; SMN2MEN1CYP1A2
SCHEMBL24310443 0.84 SMN1; SMN2 (0.61) MAPTTSHRSMN1; SMN2MEN1CYP1A2
SCHEMBL24309472 0.84 SMN1; SMN2 (0.48) MAPTTSHRSMN1; SMN2MEN1CYP1A2
SCHEMBL29567129 0.84 TSHR (0.48) MAPTTSHRSMN1; SMN2MEN1CYP1A2

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 MAPT 4864/4885TSHR 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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