SCHEMBL5653021

SCHEMBL5653021

OCC(O)C[C@H]1C=C(c2ccc(C3=NOC(COc4ccon4)C3)cc2)CCN1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.34
ITGA2B P08514 4/20 0.34
USP2 O75604 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
ESR1 P03372 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 2/20 0.33
MIF P14174 7/20 0.32
HSD17B10 Q99714 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
Hydrochloric Acid SCHEMBL5654358 0.76 ITGB3 (0.38) ITGB3ITGA2BUSP2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5654363 0.76 ITGB3 (0.38) ITGB3ITGA2BUSP2ALDH1A1LMNA
SCHEMBL5653027 0.75 CDK9 (0.38) USP2ALDH1A1LMNANPC1ESR1
SCHEMBL5653147 0.73 ALDH1A1 (0.49) USP2ALDH1A1LMNANPC1ESR1
SCHEMBL5653143 0.73 ALDH1A1 (0.49) USP2ALDH1A1LMNANPC1ESR1
SCHEMBL5654892 0.69 MIF (0.44) ALDH1A1MAPTMIF
SCHEMBL5654889 0.69 MIF (0.44) ALDH1A1MAPTMIF
SCHEMBL5655795 0.67 MIF (0.33) ITGB3ITGA2BNPC1RAB9AMIF
SCHEMBL5654236 0.66 MIF (0.39) ITGB3ITGA2BMIF
SCHEMBL5654239 0.66 MIF (0.39) ITGB3ITGA2BMIF

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-1242416-B1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-04-13 EP claimed
EP-1242416-A1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2002-09-25 EP claimed
WO-2001040222-A1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2001-06-07 WO claimed
US-20070281916-A1 Substituted isoxazolines and their use as antibacterial agents ASTRAZENECA AB (SE) 2007-12-06 US disclosed
US-7081538-B1 Substituted isoxazolines and their use as antibacterial agents ASTRAZENECA AB (SE) 2006-07-25 US disclosed
EP-1242416-B1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-04-13 EP disclosed
EP-1242416-A1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001040222-A1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2001-06-07 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-20070281916-A1 Substituted isoxazolines and their use as antibacterial agents CYP2S1, CYP3A7, CYP3A5 ITGB3 3476/4885ITGA2B 4745/4885USP2 2793/4885

“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.