SCHEMBL4499982

SCHEMBL4499982

CCCCSCCCCCCCC[O]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.46
THRB P10828 2/20 0.46
GMNN O75496 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
BLM P54132 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA2 P00918 1/20 0.45
CES1 P23141 5/20 0.41
FAAH O00519 4/20 0.41
PLA2G6 O60733 1/20 0.41
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
TSHR P16473 1/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PRKD3 O94806 1/20 0.33
PRKCG P05129 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
SCHEMBL7000978 1.00 CES2 (0.46) CES2THRBGMNNTP53POLB
SCHEMBL7001843 1.00 CES2 (0.46) CES2THRBGMNNTP53POLB
SCHEMBL6721928 0.97 CES2 (0.43) CES2THRBGMNNTP53POLB
SCHEMBL4159939 0.95 CES2 (0.52) CES2THRBGMNNTP53POLB
SCHEMBL8811352 0.95 CES2 (0.52) CES2THRBGMNNTP53POLB
SCHEMBL8050737 0.95 CES2 (0.52) CES2THRBGMNNTP53POLB
SCHEMBL8813994 0.95 CES2 (0.52) CES2THRBGMNNTP53POLB
SCHEMBL7001840 0.90 CES2 (0.41) CES2THRBGMNNTP53POLB
SCHEMBL7002011 0.90 CES2 (0.41) CES2THRBGMNNTP53POLB
SCHEMBL10590914 0.90 CES2 (0.52) CES2THRBGMNNTP53POLB

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-1655291-B1 COMPOUNDS HAVING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO (JP) 2016-08-03 EP disclosed
US-20090318513-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO., LTD. 2009-12-24 US disclosed
US-7601746-B2 Compounds exhibiting thrombopoietin receptor agonism SHIONOGI & CO., LTD. (JP) 2009-10-13 US disclosed
US-20070043087-A1 Such as 3-{2,6-difluoro-4-[4,5-dihydro-6-(3,3-dimethylbutyl)naphtho[1,2-d]thiazol-2-ylcabamoyl)phenyl]-2-methylacrylic acid EDDINGPHARM (HONG KONG) COMPANY LIMITED (CN) 2007-02-22 US disclosed
EP-1655291-A1 COMPOUNDS HAVING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO., LTD. (JP) 2006-05-10 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-20090318513-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM MPL, TEK, GHRHR CES2 3634/4885THRB 92/4885GMNN 3766/4885
US-20070043087-A1 Such as 3-{2,6-difluoro-4-[4,5-dihydro-6-(3,3-dimethylbutyl)naphtho[1,2-d]thiazol-2-ylcabamoyl)phenyl]-2-methylacrylic acid DHFR, NAT1, ACR CES2 288/4885THRB 2080/4885GMNN 2052/4885

“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.