SCHEMBL24332218

SCHEMBL24332218

COc1c(Cl)nc(NS(=O)(=O)c2cccc(C(=O)O)c2)nc1-c1c(C)cccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.46
▸ F2 P00734 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ PRSS2 P07478 1/20 0.46
▸ PRSS3 P35030 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ PTK2B Q14289 1/20 0.46
▸ ACLY P53396 1/20 0.45
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ AKR1C3 P42330 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ PIK3C2B O00750 1/20 0.42

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
SCHEMBL29515246 1.00 TSHR (0.46) TSHRF2PRSS1PRSS2PRSS3
SCHEMBL25359894 0.92 SLC40A1 (0.47) TSHRKDM4EACLYALDH1A1KMT2A
SCHEMBL29515216 0.92 SLC40A1 (0.47) TSHRKDM4EACLYALDH1A1KMT2A
SCHEMBL29515332 0.90 CASP3 (0.44) TSHRF2PRSS1PRSS2PRSS3
SCHEMBL24332185 0.90 CASP3 (0.44) TSHRF2PRSS1PRSS2PRSS3
SCHEMBL24330440 0.88 KDM4E (0.49) TSHRF2PRSS1PRSS2PRSS3
SCHEMBL29515378 0.86 KDM4E (0.47) TSHRF2PRSS1PRSS2PRSS3
SCHEMBL24331099 0.86 KDM4E (0.47) TSHRF2PRSS1PRSS2PRSS3
SCHEMBL24330983 0.86 KDM4E (0.47) TSHRF2PRSS1PRSS2PRSS3
SCHEMBL29515300 0.86 KDM4E (0.47) TSHRF2PRSS1PRSS2PRSS3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4504739-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2025-02-12 — — EP disclosed
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 — — US disclosed
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 — — US disclosed
US-20230365587-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-16 — — US disclosed
US-20230365587-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-16 — — US disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 — — WO disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 — — WO disclosed
EP-4225762-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076620-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 (2 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-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B TSHR 2057/4885F2 4339/4885PRSS1 2463/4885
US-20230365587-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B TSHR 2047/4885F2 4376/4885PRSS1 2302/4885

“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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