SCHEMBL5157382

SCHEMBL5157382

N[C@@H](Cc1cc(I)ccc1OCc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.54
MEN1 O00255 1/20 0.54
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
PLA2G2A P14555 1/20 0.54
KMT2A Q03164 1/20 0.54
SLC7A5 Q01650 2/20 0.49
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC1A5 Q15758 8/20 0.46
FFAR1 O14842 1/20 0.45
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
SLC6A9 P48067 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43

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
SCHEMBL5157377 1.00 LTA4H (0.54) LTA4HMEN1HSP90AA1HSP90AB1PLA2G2A
Hydrochloric Acid SCHEMBL4847778 0.99 LTA4H (0.53) LTA4HMEN1HSP90AA1HSP90AB1PLA2G2A
Hydrochloric Acid SCHEMBL1023741 0.99 LTA4H (0.53) LTA4HMEN1HSP90AA1HSP90AB1PLA2G2A
SCHEMBL14002362 0.81 MME (0.51) MEN1KMT2AFFAR1
SCHEMBL14002414 0.81 FFAR1 (0.43) FFAR1
SCHEMBL14002366 0.81 MME (0.51) MEN1KMT2AFFAR1
SCHEMBL7369714 0.81 LTA4H (0.51) LTA4HMEN1HSP90AA1HSP90AB1PLA2G2A
SCHEMBL15957303 0.80 LTA4H (0.57) LTA4HMEN1HSP90AA1HSP90AB1PLA2G2A
SCHEMBL12954668 0.80 PPARG (0.47) MEN1KMT2APKM
SCHEMBL20335142 0.79 KMT2A (0.56) LTA4HMEN1HSP90AA1HSP90AB1PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 US disclosed
EP-1797110-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AiCuris GmbH & Co. KG (DE) 2007-06-20 EP disclosed
US-20070129288-A1 Antibacterial amide macrocycles BAYER HEALTHCARE AG (DE) 2007-06-07 US disclosed
EP-1515983-B1 ANTIBACTERIAL AMIDE MACROCYCLES AICURIS GMBH & CO KG (DE) 2007-02-21 EP disclosed
WO-2006034786-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO.KG (DE) 2006-04-06 WO disclosed
EP-1526896-A1 ANTIBACTERIAL ESTER MACROCYCLES Bayer HealthCare AG (DE) 2005-05-04 EP disclosed
WO-2005033129-A1 ANTIBACTERIAL AMIDE MACROCYCLES BAYER HEALTHCARE AG (DE) 2005-04-14 WO disclosed
EP-1515983-A1 ANTIBACTERIAL AMIDE MACROCYCLES Bayer HealthCare AG (DE) 2005-03-23 EP disclosed
WO-2004012816-A1 ANTIBACTERIAL ESTER MACROCYCLES BAYER HEALTHCARE AG (DE) 2004-02-12 WO disclosed
WO-2003106480-A1 ANTIBACTERIAL AMIDE MACROCYCLES BAYER HEALTHCARE AG (DE) 2003-12-24 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-20070129288-A1 Antibacterial amide macrocycles AADAC, AAAS, MRPL21 LTA4H 2075/4885MEN1 2097/4885HSP90AA1 327/4885
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC LTA4H 1655/4885MEN1 2081/4885HSP90AA1 512/4885

“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.