SCHEMBL3059137

SCHEMBL3059137

CCOC(=O)/C=C/c1cc2cnc(Cl)cc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
MAPT P10636 2/20 0.34
P2RX3 P56373 1/20 0.34
DPP4 P27487 2/20 0.33
XPO1 O14980 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TTR P02766 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL3059141 1.00 CCR9 (0.38) CCR9ALDH1A1KDM4EHPGDHTT
SCHEMBL3049623 0.81 CCR9 (0.38) CCR9ALDH1A1KDM4EHPGDHTT
SCHEMBL3061646 0.81 CCR9 (0.38) CCR9ALDH1A1KDM4EHPGDHTT
SCHEMBL2239999 0.81 KDM4E (0.42) ALDH1A1KDM4EHPGDHTTCCNC
SCHEMBL3064581 0.79 KDM4E (0.41) CCR9ALDH1A1KDM4EHPGDHTT
SCHEMBL30684446 0.77 TTR (0.35) ALDH1A1HTTCCNCCDK8MAPT
SCHEMBL26912751 0.77 TTR (0.35) ALDH1A1HTTCCNCCDK8MAPT
SCHEMBL3059960 0.77 KDM4E (0.46) CCR9ALDH1A1KDM4EHPGDHTT
SCHEMBL3064604 0.76 CCR9 (0.47) CCR9ALDH1A1KDM4EMAPT
SCHEMBL23944952 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197438-B1 HETEROCYCLIC COMPOUNDS AS CRTH2 RECEPTOR ANTAGONISTS CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY SHIJIAZHUAN (CN) 2015-07-15 EP disclosed
US-8772312-B2 Heterocyclic compounds as CRTH2 receptor antagonists CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2014-07-08 US disclosed
US-20100222270-A1 HETEROCYCLIC COMPOUNDS AS CRTH2 RECEPTOR ANTAGONISTS CHEMETEK, LLC 2010-09-02 US disclosed
EP-2197438-A1 HETEROCYCLIC COMPOUNDS AS CRTH2 RECEPTOR ANTAGONISTS Chemietek, Llc (US) 2010-06-23 EP disclosed
WO-2009049021-A1 HETEROCYCLIC COMPOUNDS AS CRTH2 RECEPTOR ANTAGONISTS CHEMIETEK, LLC (US) 2009-04-16 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-20100222270-A1 HETEROCYCLIC COMPOUNDS AS CRTH2 RECEPTOR ANTAGONISTS HRH2, NR3C2, HRH1 CCR9 650/4885ALDH1A1 1845/4885KDM4E 4586/4885

“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.