SCHEMBL18811684

SCHEMBL18811684

O=S(=O)(Cl)C1CCCCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA12 O43570 2/20 0.38
CA7 P43166 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA2 P00918 2/20 0.35
CA9 Q16790 1/20 0.33
APLNR P35414 2/20 0.31
LOX P28300 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
EPHX2 P34913 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL14548867 1.00 CA1 (0.38) CA1CA12CA7CA14CA2
SCHEMBL22022206 1.00 CA1 (0.38) CA1CA12CA7CA14CA2
SCHEMBL5075567 1.00 CA1 (0.38) CA1CA12CA7CA14CA2
SCHEMBL159029 1.00 CA1 (0.38) CA1CA12CA7CA14CA2
SCHEMBL14641415 1.00 CA1 (0.38) CA1CA12CA7CA14CA2
SCHEMBL14463171 1.00 CA1 (0.38) CA1CA12CA7CA14CA2
SCHEMBL15856951 1.00 CA1 (0.38) CA1CA12CA7CA14CA2
SCHEMBL5075588 1.00 CA1 (0.38) CA1CA12CA7CA14CA2
Hydrogen Sulfide SCHEMBL27532786 0.97 CA1 (0.36) CA1CA12CA7CA14CA2
SCHEMBL68569 0.97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025877-A1 PROCESSES FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2024-01-25 US disclosed
WO-2023074847-A1 NOVEL SPIRO COMPOUND 田辺三菱製薬株式会社 2023-05-04 WO disclosed
US-20210246117-A1 PROCESSES FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2021-08-12 US disclosed
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-25 US disclosed
US-10696651-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-30 US disclosed
US-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-07-02 US disclosed
WO-2019113476-A2 PROCESSES FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-06-13 WO disclosed
US-20190169166-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-06 US disclosed
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US disclosed
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US disclosed
US-9951226-B2 Compound based on cyanine scaffold for diagnosis sepsis by selectively detect glutathione EWHA University—Industry Collaboration Foundation (KR) 2018-04-24 US disclosed
US-20170121342-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM 2017-05-04 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 (9 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-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 CA1 4865/4885CA12 4847/4885CA7 4616/4885
US-20210246117-A1 PROCESSES FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SCNN1G CA1 4860/4885CA12 4658/4885CA7 4575/4885
US-10696651-B2 Heterocyclic compound EIF2AK4, GCN1, GTF2I CA1 4485/4885CA12 4414/4885CA7 3480/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 CA1 4865/4885CA12 4847/4885CA7 4616/4885
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CA1 4843/4885CA12 4114/4885CA7 3401/4885
US-20190169166-A1 HETEROCYCLIC COMPOUND EIF2AK4, GCN1, GTF2I CA1 4485/4885CA12 4414/4885CA7 3480/4885
US-20240025877-A1 PROCESSES FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SCNN1G CA1 4824/4885CA12 4559/4885CA7 4529/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 CA1 4862/4885CA12 4856/4885CA7 4608/4885
US-20170121342-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE HIF1AN, HIF1A, EGLN3 CA1 1305/4885CA12 1577/4885CA7 1134/4885

“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.