SCHEMBL5111772

SCHEMBL5111772

CCOC(=O)CCc1c[nH]nc1OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.48
CYP4A11 Q02928 3/20 0.48
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
DPP4 P27487 1/20 0.37

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
SCHEMBL5380841 0.84 KMT2A (0.46) ALDH1A1LMNAHSD17B10SMN1; SMN2DPP4
SCHEMBL6036366 0.84 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1KDM4ELMNA
SCHEMBL6034646 0.84 CYP4F2 (0.39) CYP4F2CYP4A11LMNACYP1A2CYP3A4
SCHEMBL6035823 0.81 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1KDM4ELMNA
SCHEMBL5392348 0.79 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1KDM4ELMNA
SCHEMBL5119986 0.78 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1KDM4ELMNA
SCHEMBL9117030 0.77 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1KDM4ELMNA
SCHEMBL6034553 0.77 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1KDM4ELMNA
SCHEMBL5371838 0.74 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1KDM4ELMNA
SCHEMBL6035557 0.74 THRB (0.39) KDM4EHSD17B10MAPTCYP1A2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP disclosed
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
US-20050014813-A1 Process for production of pyrazole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-01-20 US disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1445254-A1 PROCESS FOR PRODUCTION OF PYRAZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-08-11 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 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 (3 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-20050014813-A1 Process for production of pyrazole compounds REN, CYP11B1, CYP11B2 CYP4F2 48/4885CYP4A11 7/4885ALDH1A1 1132/4885
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 CYP4F2 90/4885CYP4A11 18/4885ALDH1A1 1442/4885
US-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 CYP4F2 1398/4885CYP4A11 520/4885ALDH1A1 1527/4885

“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.