SCHEMBL4124732

SCHEMBL4124732

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 4/20 0.47
KDM4E B2RXH2 7/20 0.44
NPSR1 Q6W5P4 4/20 0.44
MAPT P10636 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 5/20 0.40
TSHR P16473 4/20 0.40
ALOX15 P16050 3/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 4/20 0.39
HTT P42858 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL5441318 0.92 NR3C2 (0.50) NR3C2KDM4ENPSR1MAPTCYP1A2
SCHEMBL5451633 0.90 ALDH1A1 (0.47) KDM4ENPSR1MAPTCYP1A2CYP3A4
SCHEMBL5452381 0.89 KDM4E (0.39) NR3C2KDM4ENPSR1MAPTCYP1A2
SCHEMBL5449319 0.88 NR3C2 (0.38) NR3C2KDM4ENPSR1MAPTCYP1A2
SCHEMBL5451700 0.88 NR3C2 (0.39) NR3C2KDM4ENPSR1MAPTCYP1A2
SCHEMBL5451765 0.87 NR3C2 (0.46) NR3C2KDM4ENPSR1MAPTCYP1A2
SCHEMBL5442885 0.87 NR3C2 (0.38) NR3C2KDM4ENPSR1MAPTCYP1A2
SCHEMBL5454322 0.85 ALDH1A1 (0.38) NR3C2KDM4ENPSR1MAPTCYP1A2
SCHEMBL5455219 0.83 NR3C2 (0.42) NR3C2KDM4ENPSR1MAPTCYP1A2
SCHEMBL5447730 0.81 KDM4E (0.49) KDM4ENPSR1MAPTCYP1A2CYP3A4

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-20090088419-A1 PYRIDYL ACETIC ACID COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 US disclosed
EP-1851202-A1 PYRIDYL ACETIC ACID COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2007-11-07 EP disclosed
WO-2006090915-A1 PYRIDYL ACETIC ACID COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-31 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-20090088419-A1 PYRIDYL ACETIC ACID COMPOUNDS DPP4, GPR119, DPP3 NR3C2 63/4885KDM4E 2017/4885NPSR1 538/4885

“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.