SCHEMBL6582085

SCHEMBL6582085

COCCOc1cc(C)c(Cl)cc1S(N)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 1/20 0.52
CA12 O43570 7/20 0.49
CA1 P00915 7/20 0.49
CA2 P00918 7/20 0.49
CA9 Q16790 7/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 1/20 0.49
GLA P06280 1/20 0.46
KMT2A Q03164 2/20 0.43
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
PKM P14618 2/20 0.41
PDIA6 Q15084 1/20 0.40
HTT P42858 3/20 0.39

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
SCHEMBL6582244 0.83 TSHR (0.68) MCOLN3CA12CA1CA2CA9
SCHEMBL6585989 0.81 TSHR (0.66) CA12CA1CA2CA9TSHR
SCHEMBL9711164 0.78 HTR2C (0.50) CA12CA1CA2CA9TSHR
SCHEMBL13696476 0.77 L3MBTL1 (0.57) MCOLN3MAPTKMT2AHTTLMNA
SCHEMBL17088274 0.76 ALDH1A1 (0.45) CA12CA1CA2CA9TSHR
SCHEMBL6587523 0.76 PDIA6 (0.45) MCOLN3CA1CA2CA9TSHR
SCHEMBL10436156 0.73 PKM (0.42) CA12CA1CA2CA9MAPT
SCHEMBL8297106 0.72 L3MBTL1 (0.54) MAPTKMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL29469939 0.72 PDIA6 (0.51) CA12CA1CA2CA9TSHR
SCHEMBL29580196 0.72 SMN1; SMN2 (0.51) TSHRKMT2APKMHTTSMN1; SMN2

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 6 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

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 MCOLN3 918/4885CA12 3748/4885CA1 4690/4885

“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.