SCHEMBL6136931

SCHEMBL6136931

CCOC(=O)CCc1ccncc1OCOC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.45
CYP4A11 Q02928 3/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
DGAT2 Q96PD7 1/20 0.40
DPP4 P27487 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 2/20 0.38
TBXAS1 P24557 3/20 0.37
MAPT P10636 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36

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
SCHEMBL27224521 0.82 CYP4F2 (0.56) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL16972794 0.81 CYP4F2 (0.60) CYP4F2CYP4A11ALDH1A1GAAKDM4E
SCHEMBL23599088 0.79 CYP4F2 (0.53) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL3222285 0.78 CYP4F2 (0.55) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL3644242 0.78 MEN1 (0.36) CCNCCDK8
SCHEMBL31674750 0.77 CYP4F2 (0.54) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL21855487 0.77 CYP4F2 (0.50) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL23579599 0.77 CYP4F2 (0.50) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL3651691 0.77 CYP4F2 (0.50) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL17540563 0.77 CYP4F2 (0.50) CYP4F2CYP4A11CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1120409-B1 2,3-DISUBSTITUTED PYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, DRUG COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THE PREPARATION DAINIPPON PHARMACEUTICAL CO (JP) 2005-01-26 EP disclosed
CN-1173950-C 2,3-Disubstituted pyridine derivatives, process for preparation thereof, drug compositions containing the same and intermediates for preparation �ձ���ҩ��ʽ���� 2004-11-03 CN disclosed
US-6765095-B2 HETEROCYCLIC IMINES SUCH AS 2-PHENOXY-3-(3-(PYRIDIN-4-YL)-PROPOXY)PYRIDINE, FORMED BY ETHERIFICATION, AMINATION OR SULIFIDING, FOR USE AS PHOSPHODIESTERASE INHIBITORS DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) 2004-07-20 US disclosed
US-6683186-B2 CONDENSATION, ETHERIFICATION; PHOSPHODIESTERASE INHIBITORS; ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) 2004-01-27 US disclosed
US-20030199554-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor KAWASAKI MOTOJI (JP) 2003-10-23 US disclosed
US-20030195232-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor KAWASAKI MOTOJI (JP) 2003-10-16 US disclosed
US-6555557-B1 2-(3-chlorophenoxy)-3-(3-(3-hydroxypyridin-5-yl)propoxy) -pyridine, for example; phosphodiesterase IV inhibitors DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-29 US disclosed
EP-1120409-A1 2,3-DISUBSTITUTED PYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, DRUG COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THE PREPARATION Dainippon Pharmaceutical Co., Ltd. (JP) 2001-08-01 EP 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 (2 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-20030199554-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor NOX1, CYP4A11, PDE12 CYP4F2 165/4885CYP4A11 2/4885CA12 3569/4885
US-20030195232-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor NOX1, CYP4A11, PDE12 CYP4F2 165/4885CYP4A11 2/4885CA12 3569/4885

“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.