SCHEMBL2531161

SCHEMBL2531161

C=C1CNC([C@H](Oc2c(F)c(F)cc3c(=O)c(C(=O)O)cn(CC)c23)C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
PMP22 Q01453 1/20 0.44
LMNA P02545 2/20 0.39
BRD4 O60885 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
CYP2J2 P51589 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PIM1 P11309 1/20 0.38
DRD3 P35462 1/20 0.38
CYP2C9 P11712 1/20 0.36
ATP6V1B2 P21281 1/20 0.36
TBXA2R P21731 1/20 0.36
EDNRA P25101 1/20 0.36
TARBP2 Q15633 1/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35

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
SCHEMBL584762 1.00 HSD17B10 (0.45) HSD17B10KDM4EALDH1A1HPGDPMP22
SCHEMBL584986 0.92 KDM4E (0.41) HSD17B10KDM4EALDH1A1HPGDPMP22
SCHEMBL2527145 0.89 STAT3 (0.41) HSD17B10KDM4EALDH1A1HPGDPMP22
SCHEMBL583952 0.89 STAT3 (0.41) HSD17B10KDM4EALDH1A1HPGDPMP22
SCHEMBL2845822 0.88 KCNH2 (0.46) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL585355 0.88 KCNH2 (0.46) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL2838588 0.82 ADRB2 (0.46) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL584972 0.82 ADRB2 (0.46) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL585403 0.79 GSK3B (0.41) HSD17B10KDM4EALDH1A1HPGDLMNA
SCHEMBL2837867 0.79 GSK3B (0.41) HSD17B10KDM4EALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222302-A1 Novel Antibacterial Compounds ACTELION PHARMACEUTICALS LTD (CH) 2010-09-02 US claimed
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-1931684-A2 OXAZOLIDINONE-QUINOLONE HYBRIDS AS ANTIBACTERIAL COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-06-18 EP 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 HSD17B10 2408/4885KDM4E 1273/4885ALDH1A1 698/4885
US-20100222302-A1 Novel Antibacterial Compounds ODC1, AOC1, OGFOD1 HSD17B10 2169/4885KDM4E 2548/4885ALDH1A1 2770/4885

“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.