SCHEMBL46812

SCHEMBL46812

CCOC(=O)CC(C)(C)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
FFAR1 O14842 1/20 0.41
CPT2 P23786 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 5/20 0.39
TRPA1 O75762 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 2/20 0.38
HSD11B1 P28845 1/20 0.38
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
NAALAD2 Q9Y3Q0 1/20 0.36
TBXAS1 P24557 2/20 0.36
POLB P06746 1/20 0.35
FFAR3 O14843 1/20 0.34
HDAC3 O15379 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
SCHEMBL3282784 0.86 FFAR1 (0.44) GAAMGAMSIMGAM2FFAR1
SCHEMBL7668564 0.86 GAA (0.50) GAAMGAMSIMGAM2FFAR1
SCHEMBL4996013 0.84 GAA (0.48) GAAMGAMSIMGAM2FFAR1
SCHEMBL3283797 0.83 FFAR1 (0.46) GAAMGAMSIMGAM2FFAR1
SCHEMBL2148444 0.82 FFAR1 (0.45) FFAR1CPT2TDP1ALDH1A1CYP1A2
SCHEMBL7841654 0.82 GAA (0.46) GAAMGAMSIMGAM2FFAR1
SCHEMBL12697414 0.81 ALDH1A1 (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2991062 0.81 FFAR1 (0.68) GAAMGAMSIMGAM2FFAR1
SCHEMBL22070607 0.81 GAA (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL232993 0.81 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 US disclosed
US-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE TAISHO PHARMACEUTICAL CO., LTD (JP) 2021-04-29 US disclosed
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 EP disclosed
CN-110914254-A Azole-substituted pyridine compound 大正制药株式会社 2020-03-24 CN disclosed
EP-3002285-B1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2018-08-29 EP disclosed
US-9974777-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2018-05-22 US disclosed
US-9974777-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2018-05-22 US disclosed
US-9862721-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2018-01-09 US disclosed
US-20170189386-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2017-07-06 US disclosed
US-20170189386-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2017-07-06 US disclosed
WO-2012005227-A1 TETRAHYDROCARBOLINE DERIVATIVE 小野薬品工業株式会社 (JP) 2012-01-12 WO disclosed
US-7977342-B2 HCV inhibiting bi-cyclic pyrimidines TIBOTEC-VIRCO VIROLOGY BVBA (BE) 2011-07-12 US disclosed
EP-1608631-A4 BI-CYCLIC PYRIMIDINE INHIBITORS OF TGF BETA SCIOS INC (US) 2008-08-20 EP disclosed
US-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-07-05 US disclosed
EP-1799218-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES Tibotec Pharmaceuticals Ltd. (IE) 2007-06-27 EP disclosed
US-7223766-B2 Bi-cyclic pyrimidine inhibitors of TGFβ SCIOS, INC. (US) 2007-05-29 US disclosed
WO-2006035061-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-04-06 WO disclosed
EP-1608631-A2 BI-CYCLIC PYRIMIDINE INHIBITORS OF TGF BETA SCIOS INC. (US) 2005-12-28 EP disclosed
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta SCIOS, INC. 2005-01-06 US disclosed
WO-2004087056-A2 BI-CYCLIC PYRIMIDINE INHIBITORS OF TGFβ SCIOS INC. (US) 2004-10-14 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 (5 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-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE CYP2C19, CYP4A11, CYP11B1 GAA 3192/4885MGAM 879/4885SI 603/4885
US-11365192-B2 Pyridine compound substituted with azole CYP2C19, CYP4A11, CYP11B1 GAA 3192/4885MGAM 879/4885SI 603/4885
US-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES UMPS, NUDT1, PNP GAA 1259/4885MGAM 4264/4885SI 3505/4885
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta TYMP, TYMS, TGFBR1 GAA 1620/4885MGAM 4761/4885SI 2445/4885
US-20170189386-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 GAA 1173/4885MGAM 3002/4885SI 324/4885

“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.