SCHEMBL4875117

SCHEMBL4875117

CN(C)c1ccc(NS(=O)(=O)c2cccc(-c3ccncc3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.62
TDP1 Q9NUW8 3/20 0.62
MAPT P10636 3/20 0.62
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 1/20 0.51
GFER P55789 1/20 0.51
MCL1 Q07820 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
PSEN1 P49768 1/20 0.51
PSEN2 P49810 1/20 0.51
APH1B Q8WW43 1/20 0.51
NCSTN Q92542 1/20 0.51
APH1A Q96BI3 1/20 0.51
PSENEN Q9NZ42 1/20 0.51
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
PGR P06401 1/20 0.48

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
SCHEMBL4875083 0.88 CYP11B1 (0.63) LMNATDP1MAPTKMT2AMEN1
SCHEMBL8279533 0.85 TDP1 (0.62) LMNATDP1MAPTALDH1A1MAPK1
SCHEMBL4877336 0.85 TDP1 (0.62) LMNATDP1MAPTALDH1A1MAPK1
SCHEMBL14018731 0.85 MAPT (0.74) LMNATDP1MAPTALDH1A1MAPK1
SCHEMBL8281114 0.83 TDP1 (0.64) LMNATDP1MAPTKMT2AALDH1A1
SCHEMBL8281131 0.83 TDP1 (0.64) LMNATDP1MAPTALDH1A1MAPK1
SCHEMBL8279552 0.82 PLAU (0.63) LMNATDP1MAPTALDH1A1CYP11B1
SCHEMBL14018730 0.82 TDP1 (0.62) LMNATDP1MAPTALDH1A1MAPK1
SCHEMBL8280250 0.81 TDP1 (0.58) LMNATDP1MAPTALDH1A1MAPK1
SCHEMBL8279502 0.81 TDP1 (0.58) LMNATDP1MAPTALDH1A1MAPK1

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 1 patent. 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

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

“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.