SCHEMBL24309463

SCHEMBL24309463

Cc1cccc(C)c1-c1cc(C2(c3ccccc3)CC2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ EGFR P00533 2/20 0.36
▸ FGFR1 P11362 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PIK3CD O00329 4/20 0.35
▸ PIK3CB P42338 2/20 0.35
▸ PIK3CG P48736 2/20 0.35
▸ MTOR P42345 1/20 0.35
▸ HTR1A P08908 4/20 0.34
▸ HTR7 P34969 4/20 0.34
▸ PIK3R1 P27986 3/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ AADAT Q8N5Z0 1/20 0.33
▸ NLRP3 Q96P20 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
SCHEMBL29566879 1.00 PDPK1 (0.41) PDPK1ALDH1A1TSHREGFRFGFR1
SCHEMBL24309722 0.84 HTR1A (0.38) PDPK1ALDH1A1TSHREGFRFGFR1
SCHEMBL29566520 0.84 HTR1A (0.38) PDPK1ALDH1A1TSHREGFRFGFR1
SCHEMBL29567139 0.84 PDPK1 (0.40) PDPK1ALDH1A1TSHREGFRFGFR1
SCHEMBL24309462 0.84 PDPK1 (0.40) PDPK1ALDH1A1TSHREGFRFGFR1
SCHEMBL24310199 0.83 PIK3CD (0.38) PDPK1ALDH1A1EGFRFGFR1KDR
SCHEMBL29566806 0.83 PIK3CD (0.38) PDPK1ALDH1A1EGFRFGFR1KDR
SCHEMBL24310345 0.82 TSHR (0.43) ALDH1A1TSHREGFRFGFR1KDR
SCHEMBL29566612 0.82 TSHR (0.43) ALDH1A1TSHREGFRFGFR1KDR
SCHEMBL26806586 0.81 TSHR (0.42) ALDH1A1TSHREGFRFGFR1KDR

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 3 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
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 PDPK1 1375/4885ALDH1A1 3992/4885TSHR 1755/4885

“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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