SCHEMBL1804729

SCHEMBL1804729

COc1ccc(S(N)(=O)=O)c(C)c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDIA6 Q15084 1/20 0.67
▸ PKM P14618 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ CA2 P00918 12/20 0.50
▸ CA1 P00915 5/20 0.50
▸ CA9 Q16790 5/20 0.50
▸ CA12 O43570 4/20 0.50
▸ FFAR4 Q5NUL3 1/20 0.45
▸ PTGS2 P35354 1/20 0.43

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
SCHEMBL29575651 1.00 PDIA6 (0.67) PDIA6PKMSMN1; SMN2L3MBTL1CA2
SCHEMBL8295570 0.85 ALDH1A1 (0.51) PDIA6SMN1; SMN2L3MBTL1CA2CA1
SCHEMBL4203848 0.84 PKM (0.58) PDIA6PKMSMN1; SMN2L3MBTL1FFAR4
SCHEMBL31235134 0.82 CA2 (0.51) PDIA6PKML3MBTL1CA2CA1
SCHEMBL16936936 0.82 CA2 (0.51) PDIA6PKML3MBTL1CA2CA1
SCHEMBL12036349 0.82 SMN1; SMN2 (0.57) PDIA6PKMSMN1; SMN2L3MBTL1FFAR4
SCHEMBL1817467 0.81 PKM (0.55) PDIA6PKMSMN1; SMN2L3MBTL1CA2
SCHEMBL1522779 0.81 ALDH1A1 (0.53) PDIA6PKMSMN1; SMN2CA2CA1
SCHEMBL2183386 0.81 PKM (0.55) PKML3MBTL1CA2CA1CA9
SCHEMBL29551296 0.81 PKM (0.55) PKML3MBTL1CA2CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111362857-A Compound with indoline skeleton, preparation method and medical application thereof 中国药科大学 2020-07-03 — — CN claimed
WO-2011149827-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-12-01 — — WO claimed
CN-111362857-B Compound with indoline skeleton, preparation method and medical application thereof 中国药科大学 2023-02-28 — — CN disclosed
US-11186566-B2 Modulator of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-11-30 — — US disclosed
US-20200283405-A1 MODULATOR OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2020-09-10 — — US disclosed
CN-111362857-A Compound with indoline skeleton, preparation method and medical application thereof 中国药科大学 2020-07-03 — — CN disclosed
WO-2011149827-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-12-01 — — WO disclosed
WO-2011056739-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-05-12 — — WO disclosed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 — — US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 — — 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 (3 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-20200283405-A1 MODULATOR OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR CFTR, SLC26A4, ABCB11 PDIA6 1399/4885PKM 1762/4885SMN1; SMN2 4741/4885
US-11186566-B2 Modulator of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator CFTR, SLC26A4, ABCB11 PDIA6 1399/4885PKM 1762/4885SMN1; SMN2 4741/4885
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy PTGER1, SULT2A1, SULT1E1 PDIA6 1774/4885PKM 456/4885SMN1; SMN2 2229/4885

“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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