SCHEMBL584002

SCHEMBL584002

CCn1cc(C(=O)O)c(=O)c2cc(F)c(F)c(O)c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
HPGD P15428 7/20 0.56
HSD17B10 Q99714 6/20 0.56
ALDH1A1 P00352 6/20 0.56
PMP22 Q01453 1/20 0.55
DRD3 P35462 1/20 0.51
LMNA P02545 4/20 0.50
TSHR P16473 2/20 0.50
PIM1 P11309 1/20 0.50
BRD4 O60885 1/20 0.50
HTT P42858 1/20 0.50
CYP2J2 P51589 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP2C9 P11712 1/20 0.48
ATP6V1B2 P21281 1/20 0.48
TBXA2R P21731 1/20 0.48
EDNRA P25101 1/20 0.48
TARBP2 Q15633 1/20 0.48
POLB P06746 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL500816 0.89 KDM4E (0.61) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL30843076 0.89 KDM4E (0.61) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL10457822 0.87 KDM4E (0.56) KDM4EHPGDHSD17B10ALDH1A1PMP22
Fluoride SCHEMBL6756478 0.87 KDM4E (0.59) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL14842634 0.87 KDM4E (0.56) KDM4EHPGDHSD17B10ALDH1A1PMP22
Oxalic Acid SCHEMBL27853160 0.86 KDM4E (0.58) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL6756481 0.86 KDM4E (0.58) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL13581396 0.86 KDM4E (0.55) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL8802971 0.86 KDM4E (0.55) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9538319 0.86 KDM4E (0.55) KDM4EHPGDHSD17B10ALDH1A1PMP22

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
EP-2102217-B1 4- (2-OXO-OXAZOLIDIN-3YL)-PHENOXYMETHYLE DERIVATIVEAS AS ANTIBACTERIALS ACTELION PHARMACEUTICALS LTD (CH) 2012-02-15 EP disclosed
US-8039466-B2 5-hydroxymethyl-oxazolidin-2-one antibacterials ACTELION PHARMACEUTICAL LTD. (CH) 2011-10-18 US disclosed
EP-2256120-A1 Oxazolidinone-quinolone hybrids as antibacterial compounds Actelion Pharmaceuticals Ltd. (CH) 2010-12-01 EP disclosed
US-20100222302-A1 Novel Antibacterial Compounds ACTELION PHARMACEUTICALS LTD (CH) 2010-09-02 US disclosed
US-20100069376-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE ANTIBACTERIALS ACTELION PHARMACEUTICALS, LTD. (CH) 2010-03-18 US disclosed
EP-2102217-A2 4- (2-OXO-OXAZOLIDIN-3YL)-PHENOXYMETHYLE DERIVATIVEAS AS ANTIBACTERIALS Actelion Pharmaceuticals Ltd. (CH) 2009-09-23 EP disclosed
EP-1931684-A2 OXAZOLIDINONE-QUINOLONE HYBRIDS AS ANTIBACTERIAL COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-06-18 EP disclosed
WO-2008062379-A2 4- (2-OXO-OXAZOLIDIN-3YL)-PHENOXYMETHYLE DERIVATIVEAS AS ANTIBACTERIALS ACTELION PHARMACEUTICALS LTD (CH) 2008-05-29 WO disclosed
WO-2007017828-A2 OXAZOLIDINONE-QUINOLONE HYBRIDS AS ANTIBACTERIAL COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-02-15 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-20100069376-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE ANTIBACTERIALS OGFOD1, ODC1, OXGR1 KDM4E 1273/4885HPGD 1938/4885HSD17B10 2408/4885
US-20100222302-A1 Novel Antibacterial Compounds ODC1, AOC1, OGFOD1 KDM4E 2548/4885HPGD 3687/4885HSD17B10 2169/4885

“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.