SCHEMBL24309545

SCHEMBL24309545

Cc1cccc(C)c1Oc1cc(-c2c(C)cccc2C)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ BRD4 O60885 2/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ HTR1A P08908 4/20 0.35
▸ HTR7 P34969 4/20 0.35
▸ EGFR P00533 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CREBBP Q92793 2/20 0.34
▸ NLRP3 Q96P20 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL24310121 0.93 BRD4 (0.39) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL24309555 0.92 BRD4 (0.40) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL26810221 0.91 TSHR (0.41) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL26812107 0.91 TSHR (0.35) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL24309574 0.90 BRD4 (0.41) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL29567022 0.90 BRD4 (0.41) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL29566612 0.90 TSHR (0.43) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL24310345 0.90 TSHR (0.43) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL26806550 0.89 TSHR (0.39) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL26810238 0.88 SMN1; SMN2 (0.38) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB

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 6 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
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO 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 4847/4885BRD4 1716/4885

“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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