SCHEMBL6585989

SCHEMBL6585989

COc1cc(C)c(Cl)cc1S(N)(=O)=O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.66
GLA P06280 1/20 0.66
KMT2A Q03164 1/20 0.60
PKM P14618 3/20 0.56
CA12 O43570 6/20 0.52
CA1 P00915 6/20 0.52
CA2 P00918 6/20 0.52
CA9 Q16790 6/20 0.52
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALPL P05186 1/20 0.49
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.45

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
SCHEMBL21660304 0.84 TSHR (0.68) TSHRGLAKMT2APKMCA12
SCHEMBL19057028 0.83 PKM (0.67) TSHRGLAKMT2APKMCA12
SCHEMBL11497077 0.82 PKM (0.71) TSHRGLAKMT2APKMCA12
SCHEMBL6582244 0.81 TSHR (0.68) TSHRGLAKMT2APKMCA12
SCHEMBL6582085 0.81 MCOLN3 (0.52) TSHRGLAKMT2APKMCA12
SCHEMBL12155192 0.81 PKM (0.54) TSHRGLAKMT2APKMCA12
SCHEMBL3852465 0.80 TSHR (0.62) TSHRGLAKMT2APKMCA12
SCHEMBL11688578 0.78 PKM (0.70) TSHRPKMCA12CA1CA2
SCHEMBL11715302 0.77 PKM (0.58) TSHRGLAKMT2APKMCA12
SCHEMBL8777836 0.76 PKM (0.73) TSHRGLAKMT2APKMCA12

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
US-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 US disclosed
US-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 US disclosed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 US disclosed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 US disclosed
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

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-20010014677-A1 Restenosis, kidney diseases, lung diseases NR1H2, NR1H3, NR1H4 TSHR 167/4885GLA 3441/4885KMT2A 3771/4885
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS GRM5, GRIK5, GRM3 TSHR 1634/4885GLA 2011/4885KMT2A 2216/4885

“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.