SCHEMBL24310599

SCHEMBL24310599

Cc1ccccc1Oc1cc(C2(C)C(C)(C)C2(C)C)nc(NS(=O)(=O)c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ GAA P10253 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ THRB P10828 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CYTH2 Q99418 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SLC22A12 Q96S37 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL24309466 0.86 HTR1A (0.38) TSHRSMN1; SMN2GAATHRBHSD17B10
SCHEMBL26807641 0.84 TSHR (0.48) TSHRSMN1; SMN2GAAPKMTHRB
SCHEMBL26806947 0.81 MAPT (0.55) TSHRSMN1; SMN2GAAPKMTHRB
SCHEMBL24309729 0.79 MEN1 (0.38) TSHRSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL26807639 0.77 TSHR (0.47) TSHRSMN1; SMN2GAAPKMTHRB
SCHEMBL26807604 0.75 TSHR (0.43) TSHRSMN1; SMN2GAAPKMTHRB
SCHEMBL24309324 0.74 NUDT1 (0.47) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL29566520 0.74 HTR1A (0.38) TSHRSMN1; SMN2GAATHRBHSD17B10
SCHEMBL24309722 0.74 HTR1A (0.38) TSHRSMN1; SMN2GAATHRBHSD17B10
SCHEMBL26810510 0.74 HTR1A (0.36) TSHRSMN1; SMN2GAATHRBHSD17B10

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 4847/4885GAA 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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