SCHEMBL5286719

SCHEMBL5286719

C#CCCCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.64
HTT P42858 1/20 0.63
KEAP1 Q14145 3/20 0.61
NFE2L2 Q16236 3/20 0.61
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
FOLH1 Q04609 3/20 0.51
ANPEP P15144 1/20 0.50
DPP8 Q6V1X1 1/20 0.49
DPP7 Q9UHL4 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL14697661 0.99 HTT (0.65) TGM2HTTKEAP1NFE2L2LMNA
SCHEMBL25335238 0.94 HTT (0.67) TGM2HTTKEAP1NFE2L2LMNA
SCHEMBL708331 0.88 LMNA (0.65) TGM2HTTKEAP1NFE2L2LMNA
SCHEMBL9874334 0.88 HTT (0.79) TGM2HTTKEAP1NFE2L2LMNA
SCHEMBL15346534 0.88 HTT (0.79) TGM2HTTKEAP1NFE2L2LMNA
SCHEMBL9340146 0.88 HTT (0.79) TGM2HTTKEAP1NFE2L2LMNA
SCHEMBL7283930 0.87 TGM2 (0.65) TGM2HTTKEAP1NFE2L2LMNA
SCHEMBL7285301 0.87 TGM2 (0.65) TGM2HTTKEAP1NFE2L2LMNA
SCHEMBL7283534 0.87 TGM2 (0.65) TGM2HTTKEAP1NFE2L2LMNA
SCHEMBL3151115 0.87 TGM2 (0.65) TGM2HTTKEAP1NFE2L2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778652-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS EntreMed, Inc. (US) 2007-05-02 EP disclosed
US-20060063930-A1 Compositions and methods comprising proteinase activated receptor antagonists ENTREMED, INC. 2006-03-23 US disclosed
WO-2006023844-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED, INC. (US) 2006-03-02 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-20060063930-A1 Compositions and methods comprising proteinase activated receptor antagonists F2RL1, PLAUR, F2R TGM2 1900/4885HTT 3539/4885KEAP1 3326/4885

“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.