SCHEMBL4882660

SCHEMBL4882660

COc1cccc(OC)c1-c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.46
HTR7 P34969 2/20 0.46
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TTK P33981 1/20 0.42
ITGB1 P05556 3/20 0.42
ITGA4 P13612 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR6 P50406 1/20 0.41
EGFR P00533 1/20 0.41
PIM1 P11309 1/20 0.41
KAT6A Q92794 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL31188687 0.83 CA1 (0.48) TSHRITGB1ITGA4MEN1KMT2A
SCHEMBL4879077 0.82 TSHR (0.47) TSHRALDH1A1HSD17B10TDP1
SCHEMBL17611522 0.81 ADORA3 (0.48) TSHRALDH1A1HSD17B10TDP1TTK
SCHEMBL975190 0.78 TSHR (0.61) TSHRALDH1A1HSD17B10TDP1CA1
SCHEMBL30865706 0.78 HTR1A (0.58) HTR1AHTR7ALDH1A1HSD17B10CA1
SCHEMBL755438 0.77 TSHR (0.53) HTR7TSHRALDH1A1HSD17B10TDP1
SCHEMBL2405444 0.76 PTGES2 (0.58) TSHRALDH1A1KMT2A
SCHEMBL5081851 0.76 TSHR (0.59) TSHRALDH1A1HSD17B10TDP1CA1
SCHEMBL15509798 0.76 TSHR (0.59) TSHRALDH1A1HSD17B10TDP1CA1
SCHEMBL1416443 0.76 TSHR (0.59) TSHRALDH1A1HSD17B10TDP1CA1

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
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

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 HTR1A 1029/4885HTR7 2038/4885TSHR 342/4885

“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.