SCHEMBL2111867

SCHEMBL2111867

CC(C(=O)O)c1cccc(Cl)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 3/20 0.59
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
NFKB1 P19838 1/20 0.55
PNMT P11086 1/20 0.55
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 1/20 0.47
PTGS2 P35354 4/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 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
SCHEMBL15568736 1.00 CXCL8 (0.59) CXCL8CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL15568192 1.00 CXCL8 (0.59) CXCL8CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL29718684 0.84 CXCL8 (0.63) CXCL8ALDH1A1MEN1KMT2APTGS2
SCHEMBL4659044 0.84 CXCL8 (0.63) CXCL8ALDH1A1MEN1KMT2APTGS2
SCHEMBL663906 0.84 CXCL8 (0.63) CXCL8ALDH1A1MEN1KMT2APTGS2
SCHEMBL5672222 0.84 CXCL8 (0.63) CXCL8ALDH1A1MEN1KMT2APTGS2
SCHEMBL4803146 0.83 CXCL8 (0.50) CXCL8CYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL22969909 0.83 CXCL8 (0.50) CXCL8CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL17513421 0.83 CXCL8 (0.60) CXCL8CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL28342297 0.82 CXCL8 (0.45) CXCL8CYP1A2CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447134-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2016-09-20 US disclosed
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-07-30 US disclosed
US-20140135520-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER Tokyo University of Science Educational Foundation Administration Organization (JP) 2014-05-15 US disclosed
EP-2719679-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER Tokyo University Of Science Educational Foundation Administrative Organization (JP) 2014-04-16 EP disclosed
WO-2014028931-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2014-02-20 WO disclosed
WO-2012168458-A1 ZWITTERIONIC COMPOUNDS USEFUL AS CATALYSTS FOR ESTERIFICATION REACTIONS AND PROCESSES FOR THEIR PRODUCTION ECOSYNTH BVBA (BE) 2012-12-13 WO disclosed
US-8158633-B2 Phenyl-substituted pyrazolopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-17 US disclosed
CN-1226294-C Fused heteroaromatic glucokinase activators HOFFMANN LA ROCHE (CH) 2005-11-09 CN disclosed
US-20050119252-A1 Ligands of melanocortin receptors and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-06-02 US disclosed
WO-2005042516-A2 LIGANDS OF MELANOCORTIN RECEPTORS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2005-05-12 WO disclosed
CN-1476438-A Fused heteroaromatic glucokinase activators - 2004-02-18 CN disclosed
US-20030114596-A1 Thermoplastic elastomer composition and ethylene-alpha-olefin copolymer SUMITOMO CHEMICAL COMPANY, LIMITED 2003-06-19 US disclosed
US-6541592-B1 An ethylene- alpha -olefin copolymer (alpha -olefin having 3 to 8 carbon atoms and content from 20-33.7wt %), Moony viscosity ML1+4100 degree C. of from 20-60, tensile stress M100 of 2.5 Mpa; excellent flexability, and processability SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-01 US disclosed
EP-0660024-B1 Resin-coated pipe SUMITOMO CHEMICAL CO (JP) 1997-10-22 EP disclosed
US-5571585-A HAVING EXCELLENT PROCESSABILITY, MECHANICAL STRENGTH, NORMAL AND LOW TEMPERATURE IMPACT RESISTANCE, HEAT RESISTANCE, CHIPPING RESISTANCE AND COATING SURFACE APPEEARANCE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-11-05 US disclosed
EP-0660024-A1 Resin-coated pipe SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-06-28 EP disclosed
EP-0593559-A1 AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME LTD. (GB) 1994-04-27 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 (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-20050119252-A1 Ligands of melanocortin receptors and compositions and methods related thereto MC3R, MC1R, MC4R CXCL8 2239/4885CYP1A2 1024/4885CYP3A4 601/4885
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS IMPDH1, IMPDH2, IMPA1 CXCL8 614/4885CYP1A2 513/4885CYP3A4 563/4885
US-20140135520-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER ALDH1A2, ADH1C, ADH1A CXCL8 4618/4885CYP1A2 123/4885CYP3A4 180/4885

“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.