SCHEMBL7764035

SCHEMBL7764035

Cc1cc(F)c(S(C)(=O)=O)cc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.45
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
TTR P02766 1/20 0.40

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
SCHEMBL31401278 0.86 ALDH1A1 (0.42) SLC9A1ALDH1A1LMNAMAPK1
SCHEMBL5190885 0.85 SLC9A1 (0.59) SLC9A1ALDH1A1LMNAMAPK1
SCHEMBL21623170 0.84 CA12 (0.38) SLC9A1ALDH1A1LMNAMAPK1TTR
SCHEMBL2968143 0.81 SLC9A1 (0.42) SLC9A1
SCHEMBL8574555 0.81 CA12 (0.53) ALDH1A1LMNA
SCHEMBL8578749 0.81 CA12 (0.54) ALDH1A1LMNAMAPK1
SCHEMBL8055935 0.79 GABRP (0.39) ALDH1A1LMNAMAPK1
SCHEMBL1763798 0.79 CA12 (0.51) SLC9A1ALDH1A1LMNAMAPK1
SCHEMBL6674304 0.79 CISD1 (0.50) SLC9A1ALDH1A1LMNAMAPK1
SCHEMBL6922321 0.79 SLC9A1 (0.49) SLC9A1ALDH1A1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723963-B1 4-amino-benzoylguanidine derivatives MERCK PATENT GMBH (DE) 2001-06-13 EP disclosed
WO-2000066552-A1 METHOD FOR PRODUCING A BENZOYLGUANIDINE DERIVATIVE MERCK PATENT GMBH (DE) 2000-11-09 WO disclosed
EP-0704431-B1 Ortho-substituted benzoic acid derivatives MERCK PATENT GMBH (DE) 2000-05-24 EP disclosed
US-5849796-A Ortho-substituted benzoil acid derivatives MERCK PATENT GELSELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-12-15 US disclosed
US-5739142-A 4-aminobenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-14 US disclosed
CN-1138575-A 4-aminobenzoylguanidine derivatives MERCK PATENT GMBH (DE) 1996-12-25 CN disclosed
EP-0723963-A1 4-amino-benzoylguanidine derivatives MERCK PATENT GmbH (DE) 1996-07-31 EP disclosed
EP-0704431-A2 Ortho-substituted benzoic acid derivatives MERCK PATENT GmbH (DE) 1996-04-03 EP disclosed