SCHEMBL3103453

SCHEMBL3103453

CCC(C)OC(=O)C(F)(F)CCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.31
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 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
SCHEMBL4027050 0.78 MEN1 (0.37) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL1406746 0.78 MEN1 (0.37) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL1406587 0.76 MEN1 (0.39) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL3681851 0.75 MAPT (0.33) CYP1A2MEN1KMT2AMAPT
SCHEMBL3370002 0.74 MAPT (0.34) MAPT
SCHEMBL18337024 0.74 TSHR (0.40) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL22883307 0.74 MAPT (0.33) MAPT
SCHEMBL11056460 0.74 TSHR (0.40) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL6283780 0.73 LMNA (0.36) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL10110808 0.73 MAPT (0.33) THRBMAPT

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-8470836-B2 Dipeptidyl peptidase-IV inhibiting compounds, methods of preparing the same, and pharmaceutical compositions containing the same as active agent LG LIFE SCIENCES, LTD. (KR) 2013-06-25 US disclosed
US-20100274013-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS ACTIVE AGENT LG LIFE SCIENCES, LTD. (KR) 2010-10-28 US disclosed
EP-2220086-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS ACTIVE AGENT LG Life Sciences Ltd. (KR) 2010-08-25 EP disclosed
WO-2009082134-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS ACTIVE AGENT LG LIFE SCIENCES, LTD. (KR) 2009-07-02 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-20100274013-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS ACTIVE AGENT DPP4, DPP7, DPP9 CYP1A2 3277/4885MEN1 1989/4885ALDH1A1 725/4885

“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.