SCHEMBL706485

SCHEMBL706485

CCC(Oc1ccc(OC(F)(F)F)cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
PPARG P37231 6/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
PPARA Q07869 6/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP4X1 Q8N118 1/20 0.40
XDH P47989 1/20 0.40
PDK1 Q15118 1/20 0.39
PPARD Q03181 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.37
MITF O75030 1/20 0.37

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
SCHEMBL707380 0.85 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1HPGDKDM4ETHRB
SCHEMBL10788442 0.80 TTR (0.49) SMN1; SMN2PPARACYP1A2XDHPDK1
SCHEMBL7447401 0.79 ALDH1A1 (0.44) SMN1; SMN2PPARAXDHPDK1ALDH1A1
SCHEMBL11310307 0.78 ALDH1A1 (0.47) SMN1; SMN2PPARGCYP1A2CYP2C9CYP2C19
SCHEMBL8383429 0.78 TTR (0.47) SMN1; SMN2PPARAXDHPDK1ALDH1A1
SCHEMBL709158 0.78 POLB (0.50) SMN1; SMN2XDHPDK1ALDH1A1HPGD
SCHEMBL5910982 0.77 ALDH3A1 (0.47) SMN1; SMN2PPARACYP1A2CYP2D6CYP2C9
SCHEMBL5910980 0.77 ALDH3A1 (0.47) SMN1; SMN2PPARACYP1A2CYP2D6CYP2C9
SCHEMBL7508888 0.77 ALDH1A1 (0.51) SMN1; SMN2CYP1A2ALDH1A1HPGDKDM4E
SCHEMBL16711884 0.77 SMN1; SMN2 (0.58) SMN1; SMN2PPARGPPARACYP1A2CYP2D6

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-8124602-B2 Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB (SE) 2012-02-28 US disclosed
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-04-21 US disclosed
EP-2289890-A1 Compounds for the treatment of multi-drug resistant bacterial infections AstraZeneca AB (SE) 2011-03-02 EP disclosed
US-7875715-B2 6-[({1-[2-(7-methoxy-2-oxoquinoxalin-1(2H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one; antibacteria; methicillin-resistant Staphylococcus aureus (MRSA), methicillin-resistant coagulase-negative staphylococci (MRCNS), penicillin-resistant Streptococcus pneumoniae ASTRAZENECA AB (SE) 2011-01-25 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-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK SMN1; SMN2 4251/4885PPARG 1367/4885PTGDR2 3840/4885

“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.