SCHEMBL5727358

SCHEMBL5727358

C=CCC(NC(=O)c1ccccc1)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
HPGD P15428 2/20 0.45
LMNA P02545 2/20 0.45
CTSL P07711 5/20 0.45
CTSS P25774 2/20 0.45
CTSK P43235 2/20 0.45
CTSB P07858 1/20 0.45
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2C19 P33261 2/20 0.43
GAA P10253 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
SCHEMBL12877478 0.87 FOLH1 (0.50) ALDH1A1HPGDLMNACTSLCYP2C19
SCHEMBL712558 0.87 FOLH1 (0.50) ALDH1A1HPGDLMNACTSLCYP2C19
SCHEMBL714529 0.85 TAS1R3 (0.54) ALDH1A1KMT2ALMNACTSLRAB9A
SCHEMBL8232716 0.85 TAS1R3 (0.54) ALDH1A1KMT2ALMNACTSLRAB9A
SCHEMBL2782642 0.85 TAS1R3 (0.54) ALDH1A1KMT2ALMNACTSLRAB9A
SCHEMBL5759561 0.82 PKM (0.57) ALDH1A1KMT2AMEN1LMNACTSL
SCHEMBL18803701 0.82 CA2 (0.51) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL12019153 0.81 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL12984469 0.81 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1HPGDLMNA
SCHEMBL7371458 0.79 PDE4A (0.50) ALDH1A1KMT2AMEN1CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423363-B1 ORAL ANTIDIABETIC AGENTS WARNER LAMBERT CO (US) 2006-04-19 EP disclosed
EP-1577305-A1 Oral antidiabetic agents WARNER-LAMBERT COMPANY LLC (US) 2005-09-21 EP disclosed
EP-1423363-A1 ORAL ANTIDIABETIC AGENTS Warner-Lambert Company LLC (US) 2004-06-02 EP disclosed
US-20030171377-A1 Antidiabetic agents BIGGE CHRISTOPHER FRANKLIN (US) 2003-09-11 US disclosed
WO-2003018553-A1 ORAL ANTIDIABETIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2003-03-06 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-20030171377-A1 Antidiabetic agents SLC5A1, SLC5A2, GLP1R ALDH1A1 874/4885KMT2A 4007/4885MEN1 1196/4885

“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.