SCHEMBL5452270

SCHEMBL5452270

CC1=C(C(=O)O)C(c2ccc(C(F)(F)F)cc2)C(C#N)=C(CC(C)C)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
HSD17B10 Q99714 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX15 P16050 2/20 0.40
BRCA1 P38398 1/20 0.40
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
PKM P14618 1/20 0.37
HTT P42858 2/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FFAR3 O14843 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36

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
SCHEMBL5449336 0.88 LMNA (0.42) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL5452336 0.87 NR3C2 (0.45) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL5463601 0.86 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL5446311 0.85 ALDH1A1 (0.41) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL5454285 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL5454384 0.80 ALDH1A1 (0.39) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL5457936 0.77 ALDH1A1 (0.38) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL5447133 0.77 CACNA1F (0.60) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL5451793 0.77 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL4106662 0.76 CACNA1F (0.48) ALDH1A1HSD17B10KDM4EMEN1KMT2A

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
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 US disclosed
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD ALDH1A1 743/4885HSD17B10 247/4885KDM4E 569/4885

“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.