SCHEMBL14044849

SCHEMBL14044849

CN(C)c1ccc(NS(=O)(=O)c2cccc(C3=CCC([S+](C)[O-])S3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ ALDH1A1 P00352 4/20 0.43
▸ GFER P55789 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ TGFBR1 P36897 1/20 0.39
▸ PGR P06401 3/20 0.36
▸ PLAU P00749 1/20 0.36
▸ NPY5R Q15761 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ BRD4 O60885 1/20 0.35

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
SCHEMBL14018653 0.73 TDP1 (0.53) TDP1MAPTLMNAALDH1A1GFER
SCHEMBL8281114 0.70 TDP1 (0.64) TDP1MAPTLMNAALDH1A1GFER
SCHEMBL8281131 0.70 TDP1 (0.64) TDP1MAPTLMNAALDH1A1GFER
SCHEMBL14018727 0.70 MAPT (0.64) TDP1MAPTLMNAALDH1A1GFER
SCHEMBL8279498 0.70 MAPT (0.60) TDP1MAPTLMNAALDH1A1GFER
SCHEMBL14018731 0.69 MAPT (0.74) TDP1MAPTLMNAALDH1A1GFER
SCHEMBL14018730 0.69 TDP1 (0.62) TDP1MAPTLMNAALDH1A1GFER
SCHEMBL8279533 0.69 TDP1 (0.62) TDP1MAPTLMNAALDH1A1GFER
SCHEMBL4875117 0.69 LMNA (0.62) TDP1MAPTLMNAALDH1A1GFER
SCHEMBL4877336 0.69 TDP1 (0.62) TDP1MAPTLMNAALDH1A1GFER

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

“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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