SCHEMBL8280440

SCHEMBL8280440

O=S(=O)(Nc1ccc(-n2ccnc2)cc1)c1cccc(-c2ccc(F)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
PSEN1 P49768 1/20 0.58
PSEN2 P49810 1/20 0.58
APH1B Q8WW43 1/20 0.58
NCSTN Q92542 1/20 0.58
APH1A Q96BI3 1/20 0.58
PSENEN Q9NZ42 1/20 0.58
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PKM P14618 2/20 0.54
MAPT P10636 1/20 0.54
PFKFB3 Q16875 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAP2K4 P45985 4/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
PGR P06401 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL8278221 0.83 KMT2A (0.56) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL9261426 0.82 PFKFB3 (0.50) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL4883466 0.80 CYP3A4 (0.64) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL8278220 0.78 PGR (0.62) ALDH1A1MEN1KMT2APKMPFKFB3
SCHEMBL14018592 0.78 PGR (0.48) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL4183800 0.77 KEAP1 (0.56) KMT2APKMPFKFB3MAP2K4PGR
SCHEMBL7803560 0.76 LMNA (0.62) ALDH1A1MEN1KMT2AMAPTPFKFB3
SCHEMBL13631972 0.76 LMNA (0.59) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL8279495 0.76 TERT (0.60) CYP3A4CYP2D6ALDH1A1MEN1KMT2A
SCHEMBL4880963 0.75 CYP3A4 (0.64) CYP3A4CYP2D6PSEN1PSEN2APH1B

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 3 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
WO-2005090298-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 CYP3A4 950/4885CYP2D6 581/4885PSEN1 3245/4885

“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.