SCHEMBL3063017

SCHEMBL3063017

O=C(O)/C=C/c1c(Cl)cc(Br)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
ITGA2B P08514 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PTGER3 P43115 3/20 0.38
PTGER2 P43116 3/20 0.38
PTGER1 P34995 2/20 0.38
ITGB2 P05107 2/20 0.38
ICAM1 P05362 2/20 0.38
ITGAL P20701 2/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38

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
SCHEMBL3063021 1.00 EIF2AK2 (0.43) EIF2AK2CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL124633 0.83 ITGB2 (0.47) ALDH1A1SMN1; SMN2AKR1C3AKR1C2ITGB3
SCHEMBL16265455 0.83 ITGB2 (0.47) ALDH1A1SMN1; SMN2AKR1C3AKR1C2ITGB3
SCHEMBL122609 0.79 CSNK2A2 (0.50) EIF2AK2CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL27815713 0.78 TTR (0.42) ALDH1A1SMN1; SMN2AKR1C3L3MBTL1HCAR2
SCHEMBL7890271 0.76 MIF (0.44) EIF2AK2CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL12984070 0.76 MIF (0.44) EIF2AK2CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL16634243 0.76 BACE1 (0.47) EIF2AK2CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL16634244 0.76 BACE1 (0.47) EIF2AK2CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL909922 0.75 POLB (0.59) ALDH1A1SMN1; SMN2ITGB3ITGAVITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889722-B2 Pharmaceutical composition containing optically active compound having thrombopoietin receptor agonist activity, and intermediate therefor SHIONOGI & CO., LTD. (JP) 2014-11-18 US disclosed
EP-2184279-B1 PHARMACEUTICAL COMPOSITION CONTAINING OPTICALLY ACTIVE COMPOUND HAVING THROMBOPOIETIN RECEPTOR AGONIST ACTIVITY AND INTERMEDIATE THEREOF SHIONOGI & CO (JP) 2014-11-12 EP disclosed
US-8530668-B2 Pharmaceutical composition containing optically active compound having thrombopoietin receptor agonist activity, and intermediate therefor SHIONOGI & CO., LTD. (JP) 2013-09-10 US disclosed
US-20130217885-A1 PHARMACEUTICAL COMPOSITION CONTAINING OPTICALLY ACTIVE COMPOUND HAVING THROMBOPOIETIN RECEPTOR AGONIST ACTIVITY, AND INTERMEDIATE THEREFOR SHIONOGI & CO., LTD. (JP) 2013-08-22 US disclosed
US-20100267783-A1 PHARMACEUTICAL COMPOSITION CONTAINING OPTICALLY ACTIVE COMPOUND HAVING THROMBOPOIETIN RECEPTOR AGONIST ACTIVITY, AND INTERMEDIATE THEREFOR EDDINGPHARM (HONG KONG) COMPANY LIMITED (CN) 2010-10-21 US disclosed
EP-2184279-A1 PHARMACEUTICAL COMPOSITION CONTAINING OPTICALLY ACTIVE COMPOUND HAVING THROMBOPOIETIN RECEPTOR AGONIST ACTIVITY AND INTERMEDIATE THEREOF Shionogi&Co., Ltd. (JP) 2010-05-12 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-20100267783-A1 PHARMACEUTICAL COMPOSITION CONTAINING OPTICALLY ACTIVE COMPOUND HAVING THROMBOPOIETIN RECEPTOR AGONIST ACTIVITY, AND INTERMEDIATE THEREFOR MPL, TEK, THPO EIF2AK2 4336/4885CSNK2A2 1776/4885CSNK2B 1551/4885
US-20130217885-A1 PHARMACEUTICAL COMPOSITION CONTAINING OPTICALLY ACTIVE COMPOUND HAVING THROMBOPOIETIN RECEPTOR AGONIST ACTIVITY, AND INTERMEDIATE THEREFOR MPL, TEK, THPO EIF2AK2 4333/4885CSNK2A2 1784/4885CSNK2B 1573/4885

“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.