SCHEMBL1306126

SCHEMBL1306126

[C]#CCc1ccc2cccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
KMT2A Q03164 1/20 0.40
FOLH1 Q04609 2/20 0.39
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
BCL2L1 Q07817 1/20 0.37
CYP2A6 P11509 1/20 0.37
MAPK1 P28482 1/20 0.37
BCAT2 O15382 1/20 0.35
HTR7 P34969 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL954772 0.78 DPP4 (0.56) DPP4KMT2AFOLH1PDCD1CD274
SCHEMBL1343377 0.74 DPP4 (0.56) DPP4KMT2AFOLH1PDCD1CD274
SCHEMBL2046926 0.73 PDCD1 (0.57) DPP4KMT2AFOLH1PDCD1CD274
SCHEMBL21409584 0.72 DPP4 (0.54) DPP4KMT2AFOLH1PDCD1CD274
SCHEMBL2046924 0.71 DPP4 (0.52) DPP4KMT2AFOLH1PDCD1CD274
SCHEMBL4652576 0.71 DPP4 (0.52) DPP4KMT2AFOLH1PDCD1CD274
SCHEMBL3119926 0.71 DPP4 (0.52) DPP4KMT2AFOLH1PDCD1CD274
SCHEMBL10609360 0.70 DPP4 (0.50) DPP4KMT2AFOLH1PDCD1CD274
SCHEMBL8130520 0.69 DPP4 (0.50) DPP4KMT2AFOLH1PDCD1CD274
SCHEMBL3128303 0.68 DPP4 (0.48) DPP4KMT2AFOLH1PDCD1CD274

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
US-8053598-B2 Compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US disclosed
EP-1745014-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2011-07-06 EP disclosed
US-20090012171-A1 Novel Compounds, Their Preparation and Use NOVO NORDISK A/S (CZ) 2009-01-08 US disclosed
EP-1745014-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2007-01-24 EP disclosed
WO-2005105736-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 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-20090012171-A1 Novel Compounds, Their Preparation and Use PPARG, PPARD, PPARA DPP4 941/4885KMT2A 4592/4885FOLH1 1936/4885

“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.