SCHEMBL4401411

SCHEMBL4401411

Cc1ccc(S(=O)(=O)N(CCO)C[C@@H](O)COCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
HTT P42858 4/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPK1 P28482 2/20 0.58
BACE1 P56817 3/20 0.53
HSP90AA1 P07900 1/20 0.53
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
GAA P10253 1/20 0.48
ALOX12 P18054 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
CNR2 P34972 6/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL10921901 0.82 GAA (0.67) MAPTHTTALDH1A1BACE1LMNA
SCHEMBL19822608 0.76 HSP90AA1 (0.48) MAPTHTTALDH1A1MAPK1BACE1
SCHEMBL2338952 0.75 CA1 (0.50) MAPTALDH1A1MAPK1LMNAPOLB
SCHEMBL4020804 0.75 CA1 (0.50) MAPTALDH1A1MAPK1LMNAPOLB
SCHEMBL4020810 0.75 CA1 (0.50) MAPTALDH1A1MAPK1LMNAPOLB
SCHEMBL19822613 0.74 HSP90AA1 (0.47) MAPTALDH1A1MAPK1BACE1HSP90AA1
SCHEMBL13720306 0.74 LMNA (0.56) MAPTALDH1A1MAPK1LMNAGAA
SCHEMBL2013117 0.73 HSP90AA1 (0.52) MAPTHTTALDH1A1MAPK1HSP90AA1
SCHEMBL19227378 0.73 CA1 (0.64) HTTMAPK1POLBCA1CA2
SCHEMBL218536 0.73 SMN1; SMN2 (0.68) MAPTALDH1A1MAPK1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924572-B1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORP (US) 2009-12-30 EP disclosed
EP-1924572-B1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORP (US) 2009-12-30 EP disclosed
WO-2008157330-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
WO-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 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-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 MAPT 2606/4885HTT 2995/4885ALDH1A1 178/4885

“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.