SCHEMBL6582244

SCHEMBL6582244

CCOc1cc(C)c(Cl)cc1S(N)(=O)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.68
MAPT P10636 1/20 0.68
MCOLN3 Q8TDD5 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 2/20 0.52
ALPL P05186 1/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
PKM P14618 1/20 0.52
HTT P42858 1/20 0.52
TP53 P04637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CA12 O43570 7/20 0.49
CA1 P00915 7/20 0.49
CA2 P00918 7/20 0.49
CA9 Q16790 7/20 0.49
ALDH1A1 P00352 2/20 0.48
CA14 Q9ULX7 1/20 0.45
GLA P06280 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL6582085 0.83 MCOLN3 (0.52) TSHRMAPTMCOLN3SMN1; SMN2KMT2A
SCHEMBL8192226 0.83 TSHR (0.48) TSHRMAPTGAAPKMNPSR1
SCHEMBL6585989 0.81 TSHR (0.66) TSHRMAPTSMN1; SMN2KMT2AALPL
SCHEMBL21757417 0.75 MAPT (0.56) TSHRMAPTMCOLN3SMN1; SMN2KMT2A
SCHEMBL29587867 0.75 CA12 (0.49) TSHRMAPTPKMHTTCA12
SCHEMBL22588276 0.75 CA12 (0.49) TSHRMAPTPKMHTTCA12
SCHEMBL11590592 0.75 PKM (0.51) TSHRMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL31536847 0.73 CA1 (0.51) TSHRMAPTSMN1; SMN2KMT2AALPL
SCHEMBL29469925 0.73 MEN1 (0.58) TSHRMAPTSMN1; SMN2KMT2AALPL
SCHEMBL6582618 0.73 CA1 (0.51) TSHRMAPTSMN1; SMN2KMT2AALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901470-B1 INDOLE DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS PFIZER (US) 2004-03-31 EP disclosed
US-6384070-B2 RESTENOSIS, KIDNEY DISEASES, LUNG DISEASES PFIZER INC. 2002-05-07 US disclosed
US-6306852-B1 INDOLE DERIVATIVES USEFUL IN THE TREATMENT OF A VARIETY OF DISEASES INCLUDING RESTENOSIS, RENAL FAILURE AND PULMONARY HYPERTENSION, AND TO PHARMACEUTICAL FORMULATIONS CONTAINING SUCH COMPOUNDS. PFIZER INC. 2001-10-23 US disclosed
US-20010014677-A1 Restenosis, kidney diseases, lung diseases RAWSON DAVID JAMES (GB) 2001-08-16 US disclosed
US-6136843-A CARDIOVASCULAR DISORDERS; KIDNEY DISORDERS PFIZER INC (US) 2000-10-24 US disclosed
US-6017945-A USEFUL IN THE TREATMENT OF RESTENOSIS, RENAL FAILURE AND PULMONARY HYPERTENSION PFIZER INC. (US) 2000-01-25 US disclosed
EP-0901470-A1 INDOLE DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS PFIZER INC. (US) 1999-03-17 EP disclosed
WO-1997043260-A1 INDOLE DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS PFIZER INC. (US) 1997-11-20 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-20010014677-A1 Restenosis, kidney diseases, lung diseases NR1H2, NR1H3, NR1H4 TSHR 167/4885MAPT 4861/4885MCOLN3 918/4885

“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.