SCHEMBL2581745

SCHEMBL2581745

CCCOc1ccc(F)c2c(=O)c(-c3ccc(O)cc3)cn(C(CC)C(=O)O)c12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGAM O43451 5/20 0.36
GAA P10253 5/20 0.36
SI P14410 5/20 0.36
MGAM2 Q2M2H8 5/20 0.36
PPARG P37231 3/20 0.35
TNF P01375 1/20 0.34
APP P05067 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ACE2 Q9BYF1 1/20 0.33
FFAR1 O14842 2/20 0.33
PPARD Q03181 1/20 0.33
MCL1 Q07820 1/20 0.32
ALDH2 P05091 2/20 0.32
FFAR4 Q5NUL3 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL2466275 0.91 FFAR1 (0.38) MGAMGAASIMGAM2PPARG
SCHEMBL2581435 0.91 CHRM1 (0.41) MGAMGAASIMGAM2PPARG
SCHEMBL2581722 0.82 MGAM (0.34) MGAMGAASIMGAM2PPARG
SCHEMBL2460915 0.81 MGAM (0.34) MGAMGAASIMGAM2PPARG
SCHEMBL2581522 0.80 MEN1 (0.39) GAAPPARGFFAR1PPARDFFAR4
SCHEMBL27844048 0.78 MET (0.33) MGAMGAASIMGAM2ACE2
SCHEMBL2489936 0.77 PIN1 (0.37) MGAMGAASIMGAM2CYP3A4
SCHEMBL2461073 0.73 SMN1; SMN2 (0.39) MGAMGAASIMGAM2CYP2C19
SCHEMBL2491976 0.73 CHRM1 (0.35) APPCYP3A4CYP2C19PTGDR2
SCHEMBL2581807 0.72 CHRM1 (0.45) FFAR1PPARDFFAR4PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45108-E1 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
US-8592593-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-11-26 US disclosed
US-8304546-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-06 US disclosed
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 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 (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-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 MGAM 4808/4885GAA 2453/4885SI 4657/4885

“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.