SCHEMBL14018752

SCHEMBL14018752

Cc1cc(S(=O)(=O)Nc2ccc(N(C)C)cc2)c(Cl)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
MAPT P10636 4/20 0.68
HTT P42858 2/20 0.68
GFER P55789 3/20 0.57
TDP1 Q9NUW8 4/20 0.55
LMNA P02545 3/20 0.53
MAPK1 P28482 1/20 0.52
MCL1 Q07820 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
PGR P06401 1/20 0.47
ACLY P53396 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
IDH1 O75874 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
SCHEMBL96008 0.82 L3MBTL1 (0.51) ALDH1A1MAPTHTTGFERLMNA
SCHEMBL4880800 0.81 MAPT (0.79) ALDH1A1MAPTHTTGFERTDP1
SCHEMBL14018748 0.81 ALDH1A1 (1.00) ALDH1A1MAPTHTTGFERTDP1
SCHEMBL14018751 0.79 ALDH1A1 (0.63) ALDH1A1MAPTHTTGFERTDP1
SCHEMBL4878909 0.79 MAPT (0.63) ALDH1A1MAPTHTTGFERTDP1
SCHEMBL3273156 0.77 L3MBTL1 (0.55) ALDH1A1MAPTLMNAL3MBTL1HSD17B1
SCHEMBL8281163 0.77 GFER (0.57) ALDH1A1MAPTHTTGFERTDP1
SCHEMBL14018756 0.77 ALDH1A1 (0.68) ALDH1A1MAPTHTTGFERTDP1
SCHEMBL14018745 0.76 ALDH1A1 (0.70) ALDH1A1MAPTHTTGFERTDP1
SCHEMBL14018755 0.75 ALDH1A1 (0.62) ALDH1A1MAPTHTTGFERTDP1

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
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

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 ALDH1A1 685/4885MAPT 4739/4885HTT 4729/4885

“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.