SCHEMBL6587523

SCHEMBL6587523

COCCOc1cc(C)ccc1S(N)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDIA6 Q15084 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
L3MBTL1 Q9Y468 8/20 0.43
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 2/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 2/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 5/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL17088274 0.88 ALDH1A1 (0.45) PDIA6CA1CA2CA9L3MBTL1
SCHEMBL7525322 0.84 L3MBTL1 (0.42) L3MBTL1MAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL564007 0.84 ALDH1A1 (0.44) L3MBTL1MAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL29922968 0.84 ALDH1A1 (0.44) L3MBTL1MAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL14915168 0.84 ALDH1A1 (0.44) L3MBTL1MAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL2714644 0.84 ALDH1A1 (0.44) L3MBTL1MAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL6582618 0.82 CA1 (0.51) PDIA6CA1CA2CA9L3MBTL1
SCHEMBL31536847 0.82 CA1 (0.51) PDIA6CA1CA2CA9L3MBTL1
SCHEMBL4420431 0.81 L3MBTL1 (0.42) L3MBTL1MAPTALDH1A1MAPK1MEN1
SCHEMBL3889830 0.80 ALDH1A1 (0.44) L3MBTL1MAPTSMN1; SMN2ALDH1A1MAPK1

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 PDIA6 2242/4885CA1 4690/4885CA2 3952/4885

“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.