SCHEMBL581272

SCHEMBL581272

Cc1ccc(NC(=O)C=CC(=O)OCC(F)(F)C(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
GAA P10253 1/20 0.64
NMT1 P30419 1/20 0.51
ALDH1A1 P00352 6/20 0.50
MAPT P10636 6/20 0.50
LMNA P02545 4/20 0.50
DDAH1 O94760 1/20 0.50
MAPK1 P28482 1/20 0.50
THRB P10828 2/20 0.49
TSHR P16473 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 1/20 0.44
MMP1 P03956 2/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
EGFR P00533 1/20 0.44
TGM2 P21980 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL581271 1.00 POLB (0.64) POLBGAANMT1ALDH1A1MAPT
SCHEMBL5945804 0.77 TSHR (0.39) POLBGAAALDH1A1MAPTLMNA
SCHEMBL5945800 0.77 TSHR (0.39) POLBGAAALDH1A1MAPTLMNA
SCHEMBL9719157 0.77 TSHR (0.39) POLBGAAALDH1A1MAPTLMNA
SCHEMBL20129339 0.76 MAPT (0.76) POLBNMT1ALDH1A1MAPTLMNA
SCHEMBL20129478 0.76 MAPT (0.76) POLBNMT1ALDH1A1MAPTLMNA
SCHEMBL20129849 0.76 MAPT (0.76) POLBNMT1ALDH1A1MAPTLMNA
SCHEMBL14578749 0.75 NMT1 (0.85) POLBGAANMT1ALDH1A1MAPT
SCHEMBL20129821 0.72 MAPT (0.70) POLBGAANMT1ALDH1A1MAPT
SCHEMBL13386094 0.70 HCAR2 (0.60) POLBALDH1A1MAPTLMNAMEN1

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-8906945-B2 Inhibitors of bacterial type III secretion system MICROBIOTIX, INC. (US) 2014-12-09 US disclosed
US-20120114633-A1 Inhibitors Of Bacterial Type III Secretion System NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-05-10 US disclosed
EP-2416661-A1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM Microbiotix, Inc. (US) 2012-02-15 EP disclosed
WO-2010118046-A1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM MICROBIOTIX, INC. (US) 2010-10-14 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-20120114633-A1 Inhibitors Of Bacterial Type III Secretion System CLPP, TFPI, SI POLB 2380/4885GAA 439/4885NMT1 739/4885

“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.