SCHEMBL5840482

SCHEMBL5840482

COC(=O)c1cc(S(=O)(=O)c2cncc(Br)c2)c([N+](=O)[O-])s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
GAA P10253 3/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
PSMD14 O00487 1/20 0.35
MMP2 P08253 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
EGFR P00533 2/20 0.34
LMNA P02545 4/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
VCAM1 P19320 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34

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
SCHEMBL5839561 0.83 C1S (0.46) MAPTGAAHPGDPOLBKDM4E
SCHEMBL5840844 0.83 POLB (0.34) MAPTGAAPOLBKDM4ETDP1
SCHEMBL5842077 0.82 ALDH1A1 (0.37) MAPTGAAPOLBKMT2ALMNA
SCHEMBL5840360 0.80 POLB (0.36) MAPTGAAHPGDPOLBL3MBTL1
SCHEMBL5841605 0.80 C1S (0.49)
SCHEMBL27611979 0.78 MAPT (0.33) MAPTGAAHPGDPOLBL3MBTL1
SCHEMBL5841225 0.76 ICAM1 (0.43) MAPTGAAHPGDPOLBL3MBTL1
SCHEMBL5841695 0.75 C1S (0.47) MAPTHPGDPOLBL3MBTL1MEN1
SCHEMBL6491122 0.74 C1S (0.41) MAPTGAAHPGDPOLBKDM4E
SCHEMBL5840709 0.72 PTPN2 (0.39) HPGDPOLBL3MBTL1KDM4EMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138530-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-11-21 US disclosed
US-7109354-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
EP-1549632-A4 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS DIMENSIONAL PHARM INC (US) 2005-11-09 EP disclosed
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 US disclosed
EP-1549632-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-07-06 EP disclosed
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-15 US disclosed
WO-2003099805-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-12-04 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 (2 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-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R MAPT 3296/4885GAA 3751/4885HPGD 2561/4885
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R MAPT 2762/4885GAA 4035/4885HPGD 2428/4885

“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.