SCHEMBL4874851

SCHEMBL4874851

O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.65
METAP2 P50579 1/20 0.59
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
MCL1 Q07820 1/20 0.59
TP53 P04637 1/20 0.58
CCR9 P51686 1/20 0.57
FLT1 P17948 1/20 0.57
FLT4 P35916 1/20 0.57
KDR P35968 1/20 0.57
EP300 Q09472 1/20 0.55
SLC10A6 Q3KNW5 2/20 0.54
SLC10A2 Q12908 1/20 0.54
SLC10A1 Q14973 1/20 0.54
ERBB2 P04626 1/20 0.51
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
PGR P06401 1/20 0.51
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50

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
SCHEMBL7182449 0.84 APP (0.64) CCR2METAP2HPGDTSHRMCL1
SCHEMBL28913966 0.84 CCR2 (0.65) CCR2HPGDTSHRMCL1ERBB2
SCHEMBL11027219 0.83 ERBB2 (0.71) CCR2HPGDTSHRMCL1FLT1
SCHEMBL15145847 0.83 CCR2 (0.53) CCR2METAP2CCR9FLT1FLT4
SCHEMBL28261757 0.81 CCR2 (0.58) CCR2METAP2CCR9FLT1FLT4
SCHEMBL2073110 0.81 CRHBP (0.61) METAP2HPGDTSHRTP53EP300
SCHEMBL9935449 0.79 CCR2 (1.00) CCR2
SCHEMBL1793758 0.79 MEN1 (0.62) TP53
SCHEMBL9934378 0.78 CCR2 (1.00) CCR2METAP2
SCHEMBL9927441 0.77 FBP1 (0.56) HPGDTSHRMCL1ERBB2HSP90AA1

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
US-20080255169-A1 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread BIOTIE THERAPIES CORPORATION (FI) 2008-10-16 US disclosed
EP-1732884-A1 SULPHONAMIDE DERIVATIVES Biotie Therapies Corp. (FI) 2006-12-20 EP disclosed
WO-2005090298-A1 SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2005-09-29 WO disclosed
WO-2005090297-A1 SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2005-09-29 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-20080255169-A1 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread NR1I2, ITGA2, ITGB2 CCR2 372/4885METAP2 2575/4885HPGD 3209/4885

“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.