SCHEMBL14044801

SCHEMBL14044801

C=C(C)c1cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
GAA P10253 1/20 0.55
ESR1 P03372 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
BRD4 O60885 1/20 0.49
CES1 P23141 1/20 0.49
CYP19A1 P11511 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ATIC P31939 1/20 0.46
WDR5 P61964 1/20 0.46
LGALS8 O00214 1/20 0.46
LGALS3 P17931 1/20 0.46
RAB9A P51151 1/20 0.46
BCAT1 P54687 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
THRB P10828 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
SCHEMBL8278284 0.89 GAA (0.48) MAPTGAAESR1MEN1KMT2A
SCHEMBL14018691 0.79 MAPT (0.59) MAPTGAAESR1MEN1KMT2A
SCHEMBL14537257 0.79 F7 (0.62) MEN1KMT2ARAB9AF7F3
SCHEMBL2842350 0.76 F7 (0.59) MAPTGAAMEN1KMT2AKDM4E
SCHEMBL8544817 0.74 GAA (0.53) MAPTGAAESR1MEN1KMT2A
SCHEMBL2851250 0.74 HRH4 (0.47) MAPTGAAMEN1KMT2ABCAT1
SCHEMBL8539408 0.73 MAPT (0.49) MAPTGAAESR1MEN1KMT2A
SCHEMBL2847609 0.72 MMP13 (0.71) MAPTGAAMEN1KMT2AKDM4E
SCHEMBL3302631 0.71 MAOA (0.48) MAPTGAATHRB
SCHEMBL10293123 0.70 SMYD3 (0.53) MAPTESR1MEN1KMT2ACYP19A1

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 MAPT 4739/4885GAA 4655/4885ESR1 195/4885

“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.