SCHEMBL7094098

SCHEMBL7094098

CC(C)CNC(=O)CCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
HPGD P15428 3/20 0.51
EPHX2 P34913 4/20 0.47
PHF8 Q9UPP1 5/20 0.46
KDM2A Q9Y2K7 5/20 0.46
KDM4E B2RXH2 3/20 0.46
KDM5C P41229 3/20 0.46
EGLN1 Q9GZT9 3/20 0.46
KDM6B O15054 1/20 0.46
FOLH1 Q04609 1/20 0.46
KDM7A Q6ZMT4 1/20 0.45
ALDH1A1 P00352 1/20 0.43
MMP1 P03956 1/20 0.43
MMP8 P22894 1/20 0.43
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
SUCNR1 Q9BXA5 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL28425942 0.87 HPGD (0.57) CYP2D6CYP2C19HPGDEPHX2MMP1
SCHEMBL8049135 0.84 CYP2D6 (0.48) CYP2D6CYP2C19HPGDEPHX2FOLH1
SCHEMBL7426956 0.82 CYP2D6 (0.50) CYP2D6CYP2C19HPGDEPHX2PHF8
SCHEMBL13311531 0.82 CYP2D6 (0.50) CYP2D6CYP2C19HPGDEPHX2ALDH1A1
SCHEMBL17313809 0.81 CYP2D6 (0.61) CYP2D6CYP2C19HPGDEPHX2ALDH1A1
SCHEMBL22310461 0.81 PHF8 (0.42) HPGDEPHX2PHF8KDM2AKDM4E
SCHEMBL799421 0.81 PHF8 (0.42) CYP2D6CYP2C19HPGDPHF8KDM2A
SCHEMBL6537134 0.80 LMNA (0.52) CYP2D6CYP2C19HPGDEPHX2KDM4E
SCHEMBL13669328 0.80 CYP2D6 (0.48) CYP2D6CYP2C19HPGDEPHX2ALDH1A1
SCHEMBL743998 0.80 CYP2D6 (0.48) CYP2D6CYP2C19HPGDEPHX2ALDH1A1

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
CN-111423396-B sEH inhibitor, and preparation method and application thereof 沈阳药科大学 2023-01-06 CN disclosed
WO-2022022360-A1 POLYETHYLENE GLYCOL CONJUGATE DRUG, AND PREPARATION METHOD THERFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2022-02-03 WO disclosed
CN-111423396-A sEH inhibitor, and preparation method and application thereof 沈阳药科大学 2020-07-17 CN disclosed
US-8580545-B2 Biodegradable linkers for molecular therapies THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2013-11-12 US disclosed
US-20130243862-A1 PHOTOCHEMICAL ACTIVATION OF SURFACES FOR ATTACHING BIOMATERIAL THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2013-09-19 US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 US disclosed
US-7635734-B2 Photochemical activation of surfaces for attaching biomaterial THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2009-12-22 US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US disclosed
US-20070293927-A1 Gene and Cell Delivery Self Expanding Polymer Stents THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2007-12-20 US disclosed
EP-0815084-B1 LACTAM-CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEASE PROCTER & GAMBLE (US) 2003-08-27 EP disclosed
US-5672598-A MATRIX METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1997-09-30 US 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-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E CYP2D6 465/4885CYP2C19 712/4885HPGD 1633/4885

“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.