SCHEMBL16832322

SCHEMBL16832322

Cc1nn(Cc2cccc(OC(F)(F)F)c2)c(C)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 2/20 0.50
GAA P10253 3/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GFER P55789 1/20 0.49
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.44

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
SCHEMBL16832460 0.86 GFER (0.63) ALDH1A1SMN1; SMN2HTTGAAPOLB
SCHEMBL16832296 0.86 RAB9A (0.57) ALDH1A1SMN1; SMN2HTTGAAPOLB
SCHEMBL16832686 0.81 LMNA (0.63) ALDH1A1SMN1; SMN2HTTGAAPOLB
SCHEMBL16832373 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HTTGAAPOLB
SCHEMBL16832571 0.80 KDM4E (0.58) SMN1; SMN2GAAHPGDGFERLMNA
SCHEMBL16832720 0.78 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2HTTGAAPOLB
SCHEMBL16832366 0.77 LMNA (0.56) ALDH1A1SMN1; SMN2GAAHPGDCYP3A4
SCHEMBL16833671 0.76 MAPT (0.55) ALDH1A1SMN1; SMN2HTTGAAPOLB
SCHEMBL16832937 0.75 GAA (0.56) ALDH1A1SMN1; SMN2HTTGAAPOLB
SCHEMBL16832293 0.75 LMNA (0.58) ALDH1A1SMN1; SMN2GAAPOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 US disclosed
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 US disclosed
EP-3083598-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP disclosed
CN-106029647-A Glucose transport inhibitors 拜耳制药股份公司 2016-10-12 CN disclosed
WO-2015091428-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
WO-2015091428-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 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 (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-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 ALDH1A1 432/4885SMN1; SMN2 1640/4885HTT 192/4885

“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.