SCHEMBL4819586

SCHEMBL4819586

CC[C@H](C)[C@@H](CC(=O)NO)NS(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
SUMO3 P55854 1/20 0.43
SUMO2 P61956 1/20 0.43
SUMO1 P63165 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MEP1B Q16820 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
SCHEMBL3198394 0.84 CA1 (0.49) RAB9ACA1CA2SUMO3SUMO2
SCHEMBL4822475 0.80 RAB9A (0.50) RAB9ACA1CA2SUMO3SUMO2
SCHEMBL3180002 0.74 RAB9A (0.51) RAB9ACA1CA2SUMO3SUMO2
SCHEMBL3322445 0.73 CA1 (0.46) RAB9ACA1CA2ALDH1A1MAPT
SCHEMBL3188045 0.73 CA1 (0.46) RAB9ACA1CA2ALDH1A1MAPT
SCHEMBL5184849 0.73 RAB9A (0.56) RAB9ASUMO3SUMO2SUMO1ALDH1A1
SCHEMBL16000121 0.71 ALDH1A1 (0.69) RAB9ASUMO3SUMO2SUMO1ALDH1A1
SCHEMBL10002559 0.71 ADAMTS4 (0.56) CA1CA2ALDH1A1
SCHEMBL4827852 0.71 SLC1A3 (0.46)
SCHEMBL3177957 0.71 VCAM1 (0.58) CA1CA2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323596-B2 Antibacterial or antiprotozoal activity: formula (1) formula (2) wherein: Z represents a radical of formula N(OH)CH( .dbd. O) or of formula C( .dbd. O)NH(OH); R1 represents hydrogen, methyl or trifluoromethyl, or, except when Z is a radical of DE NOVO PHARMACEUTICALS LTD. (GB) 2008-01-29 US disclosed
US-7323596-B2 Antibacterial or antiprotozoal activity: formula (1) formula (2) wherein: Z represents a radical of formula N(OH)CH( .dbd. O) or of formula C( .dbd. O)NH(OH); R1 represents hydrogen, methyl or trifluoromethyl, or, except when Z is a radical of DE NOVO PHARMACEUTICALS LTD. (GB) 2008-01-29 US disclosed
US-7323596-B2 Antibacterial or antiprotozoal activity: formula (1) formula (2) wherein: Z represents a radical of formula N(OH)CH( .dbd. O) or of formula C( .dbd. O)NH(OH); R1 represents hydrogen, methyl or trifluoromethyl, or, except when Z is a radical of DE NOVO PHARMACEUTICALS LTD. (GB) 2008-01-29 US disclosed
US-20040102491-A1 Antimicrobial agents DE NOVO PHARMACEUTICALS LTD. (GB) 2004-05-27 US disclosed
EP-1343753-A2 ANTIMICROBIAL AGENTS De Novo Pharmaceuticals Ltd. (GB) 2003-09-17 EP disclosed
WO-2002050081-A2 ANTIMICROBIAL AGENTS DE NOVO PHARMACEUTICALS LTD (GB) 2002-06-27 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 (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-20040102491-A1 Antimicrobial agents CBR1, CYC1, MRM1 RAB9A 2752/4885CA1 1948/4885CA2 551/4885

“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.