SCHEMBL6634064

SCHEMBL6634064

CCOC(OCC)C(=O)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38
FFAR3 O14843 2/20 0.36
THRB P10828 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 4/20 0.32
CYP2D6 P10635 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31

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
SCHEMBL28656009 0.81 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHR
SCHEMBL7052480 0.80 MGAM (0.40) THRBMGAMGAASIMGAM2
SCHEMBL10575074 0.78 MGAM (0.44) THRBMGAMGAASIMGAM2
SCHEMBL10572980 0.78 GABRP (0.35) LDHASRRFFAR3MGAMGAA
SCHEMBL8210537 0.77 LDHA (0.40) LDHASRRFFAR3THRBMGAM
SCHEMBL138841 0.76 GAA (0.61) MGAMGAASIMGAM2LMNA
SCHEMBL178955 0.76 THRB (0.40) FFAR3THRBMGAMGAASI
Malonic Acid SCHEMBL28992299 0.73 LDHA (0.43) LDHASRRFFAR3THRBMGAM
SCHEMBL28677723 0.73 LDHA (0.36) LDHASRRLMNAALDH1A1CYP2D6
SCHEMBL28615841 0.73 LDHA (0.32) LDHASRRFFAR3

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-114502634-A Sealing resin composition 味之素株式会社 2022-05-13 CN disclosed
CN-111868162-A Sealing composition 味之素株式会社 2020-10-30 CN disclosed
EP-2829539-B1 New pyrrole derivatives, method of preparing same and pharmaceutical compositions containing them SERVIER LAB (FR) 2016-12-21 EP disclosed
WO-2015011400-A1 NOVEL PYRROLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2015-01-29 WO disclosed
EP-2829539-A1 New pyrrole derivatives, method of preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2015-01-28 EP disclosed
US-20120270879-A1 Heterocyclic Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
EP-0824524-B1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE UPJOHN CO (US) 2004-09-08 EP disclosed
EP-1449835-A2 Alpha-substituted pyrimidine-thioalkyl and alkylether compounds PHARMACIA & UPJOHN COMPANY (US) 2004-08-25 EP disclosed
EP-1019501-A1 NOVEL PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed
US-6043248-A VIRICIDES FOR TREATING AN INDIVIDUAL INFECTED WITH THE HUMAN IMMUNODEFICIENCY VIRUS PHARMACIA & UPJOHN COMPANY (US) 2000-03-28 US disclosed
WO-1998041526-A1 NOVEL PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-09-24 WO disclosed
EP-0824524-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1998-02-25 EP disclosed
WO-1996035678-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1996-11-14 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 (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-20120270879-A1 Heterocyclic Compounds As CCR1 Receptor Antagonists CCR1, CCRL2, CCR3 LDHA 4296/4885SRR 1149/4885FFAR3 178/4885

“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.