SCHEMBL5773206

SCHEMBL5773206

O=C(OCc1ccccc1)c1cn(C2CC2)c2cc(OS(=O)(=O)C(F)(F)F)c(F)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 1/20 0.41
TOP2B Q02880 3/20 0.41
TOP2A P11388 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
GSK3B P49841 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL4296349 0.88 ADRB2 (0.47) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10413065 0.85 ALDH1A1 (0.46) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL1890532 0.78 KDM4E (0.70) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL17537004 0.74 DPP4 (0.47) STAT3KDM4EALDH1A1LMNAHSD17B10
SCHEMBL5773211 0.74 GSK3B (0.33) TOP2BTOP2AGSK3B
SCHEMBL7119688 0.73 HPGD (0.57) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10413421 0.73 ADRB2 (0.49) STAT3KDM4EALDH1A1LMNAHPGD
SCHEMBL22506779 0.72 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL16213149 0.72 DPP4 (0.46) STAT3KDM4EALDH1A1LMNAHSD17B10
SCHEMBL22506783 0.71 KDM4E (0.46) KDM4EALDH1A1LMNAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349853-B1 ANTIMICROBIAL QUINOLONE DERIVATIVES AND USE OF THE SAME TO TREAT BACTERIAL INFECTIONS PHARMACIA & UPJOHN CO LLC (US) 2006-03-08 EP disclosed
US-6869965-B2 Such as 2-methylpropyl-(4-bromo-3-fluorophenyl)carbamate PHARMACIA & UPJOHN COMPANY (US) 2005-03-22 US disclosed
US-20040215017-A1 Antimicrobial quinolone derivatives and use of the same to treat bacterial infections PHARMACIA & UPJOHN COMPANY 2004-10-28 US disclosed
US-6689769-B2 BACTERICIDES PHARMACIA & UPJOHN COMPANY 2004-02-10 US disclosed
US-20030013737-A1 Antimicrobial quinolone derivatives and use of the same to treat bacterial infections PHARMACIA & UPJOHN COMPANY 2003-01-16 US 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-20030013737-A1 Antimicrobial quinolone derivatives and use of the same to treat bacterial infections BRD7, BRD1, NQO2 STAT3 3078/4885KDM4E 2973/4885ALDH1A1 933/4885
US-20040215017-A1 Antimicrobial quinolone derivatives and use of the same to treat bacterial infections BRD7, BRD1, NQO2 STAT3 3078/4885KDM4E 2973/4885ALDH1A1 933/4885

“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.