SCHEMBL4704564

SCHEMBL4704564

O=S(=O)(Cl)CC1COc2cc(Cl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
MAP3K14 Q99558 1/20 0.42
FFAR1 O14842 5/20 0.42
PPARD Q03181 5/20 0.42
PPARG P37231 4/20 0.42
MAOB P27338 3/20 0.42
KDM4C Q9H3R0 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
CYP19A1 P11511 1/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34

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
SCHEMBL4705434 0.78 MAP3K14 (0.46) CA2CA1MAP3K14FFAR1PPARD
SCHEMBL4704202 0.78 MAP3K14 (0.50) CA2CA1MAP3K14FFAR1PPARD
SCHEMBL29920995 0.72 MAP3K14 (0.56) CA2CA1MAP3K14FFAR1PPARD
SCHEMBL4706082 0.71 SRD5A1 (0.43) FFAR1PPARDKDM4C
SCHEMBL28446998 0.69 FFAR1 (0.41) CA2FFAR1PPARDPPARGKDM4C
SCHEMBL28731923 0.68 MAP3K14 (0.50) CA2CA1MAP3K14TAAR1
SCHEMBL10159264 0.68 MAP3K14 (0.50) MAP3K14TAAR1CYP19A1
SCHEMBL31040705 0.68 MAP3K14 (0.50) CA2CA1MAP3K14TAAR1
SCHEMBL12533501 0.68 MAP3K14 (0.69) CA2MAP3K14FFAR1PPARDPPARG
SCHEMBL28731921 0.68 MAP3K14 (0.46) CA2CA1MAP3K14FFAR1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567489-B1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
US-20060166985-A1 Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa GLAXO GROUP LIMITED (GB) 2006-07-27 US disclosed
EP-1567489-A1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004052851-A1 PYRROLYDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2004-06-24 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-20060166985-A1 Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa TFPI, TFPI2, SERPINC1 CA2 3380/4885CA1 3697/4885MAP3K14 2347/4885

“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.