SCHEMBL4880106

SCHEMBL4880106

CC(=O)c1ccc(-c2cccc(S(=O)(=O)Nc3ccc(N(C)C)cc3)c2)s1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ HSD17B1 P14061 16/20 0.51
▸ HSD17B2 P37059 15/20 0.51
▸ FYN P06241 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ MCL1 Q07820 1/20 0.44

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
SCHEMBL9997049 0.80 PFKFB3 (0.58) HSD17B1HSD17B2MCL1
SCHEMBL14018653 0.80 TDP1 (0.53) MAPTLMNATDP1HSD17B1HSD17B2
SCHEMBL3007570 0.79 HSD17B1 (0.49) HSD17B1HSD17B2ALDH1A1HPGD
SCHEMBL15056014 0.79 HSD17B1 (0.53) HSD17B1HSD17B2
SCHEMBL8281131 0.77 TDP1 (0.64) MAPTLMNATDP1HSD17B1HSD17B2
SCHEMBL3471160 0.76 HSD17B1 (0.60) MAPTLMNAHSD17B1HSD17B2ALDH1A1
SCHEMBL3007092 0.75 HSD17B1 (0.60) MAPTLMNAHSD17B1HSD17B2FYN
SCHEMBL8281114 0.74 TDP1 (0.64) MAPTLMNATDP1ALDH1A1MAPK1
SCHEMBL14018727 0.74 MAPT (0.64) MAPTLMNATDP1ALDH1A1HPGD
SCHEMBL8279498 0.74 MAPT (0.60) MAPTLMNATDP1FYNALDH1A1

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 2 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
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 MAPT 4739/4885LMNA 3369/4885TDP1 4009/4885

“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.

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