SCHEMBL4879077

SCHEMBL4879077

COc1ccc(-c2cccc(S(=O)(=O)O)c2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
MCL1 Q07820 1/20 0.47
ACLY P53396 3/20 0.45
PTGS2 P35354 2/20 0.44
ERAP1 Q9NZ08 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ERN1 O75460 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
F9 P00740 1/20 0.43
FPR2 P25090 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL4882660 0.82 HTR1A (0.46) TSHRALDH1A1HSD17B10TDP1
SCHEMBL3493614 0.81 MAPK1 (0.70) TSHRPOLBMAPK1ALDH1A1LMNA
SCHEMBL29362862 0.81 MAPK1 (0.70) TSHRPOLBMAPK1ALDH1A1LMNA
SCHEMBL975190 0.80 TSHR (0.61) TSHRALDH1A1HSD17B10TDP1LMNA
Hydrochloric Acid SCHEMBL27568289 0.79 MAPK1 (0.68) TSHRPOLBMAPK1ALDH1A1LMNA
SCHEMBL27996488 0.79 MAPK1 (0.68) TSHRPOLBMAPK1ALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL9646716 0.79 MAPK1 (0.68) TSHRPOLBMAPK1ALDH1A1LMNA
SCHEMBL10497763 0.79 MAPK1 (0.68) TSHRPOLBMAPK1ALDH1A1LMNA
SCHEMBL5081851 0.78 TSHR (0.59) TSHRALDH1A1HSD17B10TDP1LMNA
SCHEMBL1416443 0.78 TSHR (0.59) TSHRALDH1A1HSD17B10TDP1LMNA

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 TSHR 342/4885POLB 3627/4885MAPK1 2146/4885

“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.