SCHEMBL5839561

SCHEMBL5839561

COC(=O)c1cc(S(=O)(=O)c2cccc(Br)c2)c([N+](=O)[O-])s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1S P09871 2/20 0.46
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
LOX P28300 1/20 0.37
VCAM1 P19320 1/20 0.37
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
TBXA2R P21731 1/20 0.36
USP10 Q14694 1/20 0.35
P2RY2 P41231 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
SCHEMBL6491122 0.89 C1S (0.41) C1SPOLBLMNAPPARGNCOA2
SCHEMBL5840146 0.84 XDH (0.43) C1SGAAKDM4EALDH1A1PKM
SCHEMBL5840482 0.83 MAPT (0.37) POLBLMNAPPARGNCOA2NCOA1
SCHEMBL5841695 0.83 C1S (0.47) C1SPOLBLMNAALDH1A1HPGD
SCHEMBL5840366 0.81 C1S (0.52) C1SLMNAPPARGNCOA2NCOA1
SCHEMBL5840360 0.81 POLB (0.36) POLBLMNAPPARGNCOA2NCOA1
SCHEMBL5841056 0.79 C1S (0.71) C1S
SCHEMBL5840329 0.78 PTGS2 (0.39) C1SPOLBLMNAPPARGNCOA2
SCHEMBL5840844 0.77 POLB (0.34) POLBLMNAPPARGNCOA2NCOA1
SCHEMBL5840502 0.76 KMT2A (0.39) C1SNPSR1GAAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100412073-C Novel thiophenecarboxamidines, compositions thereof, and methods of treating complement-mediated diseases and conditions DIMENSIONAL PHARM INC (US) 2008-08-20 CN disclosed
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
CN-1665800-A Novel thiophenecarboxamidines, compositions thereof, and methods of treating complement-mediated diseases and conditions DIMENSIONAL PHARM INC (US) 2005-09-07 CN 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 C1S 5/4885POLB 4582/4885LMNA 4410/4885
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R C1S 5/4885POLB 4433/4885LMNA 4320/4885

“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.