SCHEMBL5448206

SCHEMBL5448206

Cc1ccc(S(=O)(=O)OC[C@@H]2O[C@@H](COS(=O)(=O)c3ccc(C)cc3)[C@@H](O)[C@@H]2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.41
CYP2D6 P10635 4/20 0.40
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
ATG7 O95352 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL5452051 1.00 STAT3 (0.41) STAT3CYP2D6CYP1A2GAACA12
SCHEMBL7923848 0.93 CA1 (0.45) CA12CA1CA9
SCHEMBL18214994 0.93 CA2 (0.39) STAT3CYP2D6CYP1A2CA12CA1
SCHEMBL21065476 0.93 CA2 (0.39) STAT3CYP2D6CYP1A2CA12CA1
SCHEMBL28907534 0.93 CA2 (0.39) STAT3CYP2D6CYP1A2CA12CA1
SCHEMBL12244338 0.91 CA2 (0.41) STAT3CYP2D6CA12CA1
SCHEMBL12799922 0.91 CA2 (0.41) STAT3CYP2D6CA12CA1
SCHEMBL14468701 0.91 STAT3 (0.38) STAT3CYP2D6CYP1A2GAACA12
SCHEMBL13857451 0.91 CA2 (0.41) STAT3CYP2D6CA12CA1
SCHEMBL13863048 0.91 CA2 (0.41) STAT3CYP2D6CA12CA1

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
US-20070155971-A1 Chiral diphosphorus compounds and their transition metal complexes Source Global, PBC 2007-07-05 US disclosed
US-20070155971-A1 Chiral diphosphorus compounds and their transition metal complexes Source Global, PBC 2007-07-05 US disclosed
US-7193092-B2 Chiral diphosphorus compounds and their transition metal complexes LANXESS DEUTSCHLAND GMBH (DE) 2007-03-20 US disclosed
US-7193092-B2 Chiral diphosphorus compounds and their transition metal complexes LANXESS DEUTSCHLAND GMBH (DE) 2007-03-20 US disclosed
EP-1400527-B1 Chiral diphosphorus compounds and transition metal complexes thereof LANXESS DEUTSCHLAND GMBH (DE) 2006-03-22 EP disclosed
US-20050080047-A1 Chiral diphosphorus compounds and their transition metal complexes LANXESS DEUTSCHLAND GMBH (DE) 2005-04-14 US disclosed
EP-1400527-A1 Chiral diphosphorus compounds and transition metal complexes thereof Bayer Chemicals AG (DE) 2004-03-24 EP 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-20070155971-A1 Chiral diphosphorus compounds and their transition metal complexes CDIPT, DCPS, PIN1 STAT3 3974/4885CYP2D6 201/4885CYP1A2 1320/4885
US-20050080047-A1 Chiral diphosphorus compounds and their transition metal complexes CDIPT, DCPS, PIN1 STAT3 3974/4885CYP2D6 201/4885CYP1A2 1320/4885

“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.