SCHEMBL4878418

SCHEMBL4878418

O=S(=O)(Nc1ccc2[nH]ccc2c1)c1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.55
F7 P08709 1/20 0.55
LTA4H P09960 1/20 0.55
F3 P13726 1/20 0.55
AHR P35869 1/20 0.55
NR4A2 P43354 1/20 0.55
ITGA1 P56199 4/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
ALOX12 P18054 1/20 0.51
NLRP1 Q9C000 1/20 0.51
PPARG P37231 7/20 0.49
HTR6 P50406 1/20 0.48
CYP19A1 P11511 1/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48

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
SCHEMBL4884802 0.90 ESR1 (0.70) ESR1AHRITGA1MEN1KMT2A
SCHEMBL2848747 0.80 ESR1 (0.63) ESR1F7LTA4HF3AHR
SCHEMBL4879097 0.80 ITGA1 (0.51) ITGA1MEN1KMT2ALMNAMAPT
SCHEMBL25214434 0.79 F7 (0.48) F7LTA4HF3AHRNR4A2
SCHEMBL615849 0.79 IDH1 (0.52) ESR1MEN1KMT2AHTR6CYP19A1
SCHEMBL5285438 0.78 RORA (0.53) ESR1MEN1KMT2AMAPTHTR6
SCHEMBL3297977 0.76 ESR1 (0.58) ESR1F7LTA4HF3AHR
SCHEMBL3298494 0.74 ESR1 (0.56) ESR1F7LTA4HF3AHR
SCHEMBL14018648 0.74 MEN1 (0.71) ITGA1MEN1KMT2AMAPTPPARG
SCHEMBL14018744 0.74 ITGA1 (0.51) ITGA1MEN1KMT2ALMNAMAPT

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
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
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
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 ESR1 195/4885F7 1118/4885LTA4H 3231/4885

“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.