SCHEMBL3069068

SCHEMBL3069068

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.42
APEX1 P27695 8/20 0.39
GPR35 Q9HC97 1/20 0.38
NMT1 P30419 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3069073 1.00 AKR1C3 (0.42) AKR1C3APEX1GPR35NMT1KDM4E
SCHEMBL19967035 0.89 AKR1C3 (0.42) AKR1C3APEX1GPR35KDM4EALDH1A1
SCHEMBL127221 0.86 AKR1C3 (0.44) AKR1C3APEX1ALDH1A1LMNA
SCHEMBL127220 0.86 AKR1C3 (0.44) AKR1C3APEX1ALDH1A1LMNA
SCHEMBL15199397 0.83 TTR (0.48) AKR1C3APEX1GPR35
SCHEMBL16224162 0.83 TTR (0.48) AKR1C3APEX1GPR35
SCHEMBL21470298 0.80 EIF4A3 (0.42) AKR1C3APEX1KDM4E
SCHEMBL122734 0.80 AKR1C3 (0.45) AKR1C3APEX1LMNATDP1
SCHEMBL122735 0.80 AKR1C3 (0.45) AKR1C3APEX1LMNATDP1
SCHEMBL7820417 0.78 AKR1C3 (0.53) AKR1C3APEX1ALDH1A1LMNATDP1

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 AKR1C3 1103/4885APEX1 4762/4885GPR35 138/4885
US-20130217885-A1 PHARMACEUTICAL COMPOSITION CONTAINING OPTICALLY ACTIVE COMPOUND HAVING THROMBOPOIETIN RECEPTOR AGONIST ACTIVITY, AND INTERMEDIATE THEREFOR MPL, TEK, THPO AKR1C3 1146/4885APEX1 4755/4885GPR35 131/4885

“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.