SCHEMBL4507409

SCHEMBL4507409

C/C(=C\c1c(Cl)cc(C(=O)Nc2nc3c(s2)CCc2c(CCC(C)(C)C)cccc2-3)cc1Cl)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 5/20 0.44
ABCB11 O95342 1/20 0.40
F2 P00734 1/20 0.40
ESR1 P03372 1/20 0.40
PGR P06401 1/20 0.40
HTR1A P08908 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGS1 P23219 1/20 0.40
PDE4A P27815 1/20 0.40
ADRA1A P35348 1/20 0.40
DRD3 P35462 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MAPT P10636 7/20 0.39
TP53 P04637 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL4507411 1.00 MPL (0.44) MPLABCB11F2ESR1PGR
SCHEMBL4521029 0.91 MAPT (0.41) MPLMAPTTP53SMN1; SMN2RXFP1
SCHEMBL4521022 0.91 MAPT (0.41) MPLMAPTTP53SMN1; SMN2RXFP1
SCHEMBL4521025 0.91 MAPT (0.41) MPLMAPTTP53SMN1; SMN2RXFP1
SCHEMBL4517633 0.91 MAPT (0.38) MPLMAPTTP53SMN1; SMN2RXFP1
SCHEMBL4517637 0.91 MAPT (0.38) MPLMAPTTP53SMN1; SMN2RXFP1
SCHEMBL4564949 0.89 MPL (0.44) MPLABCB11F2ESR1PGR
SCHEMBL4564950 0.89 MPL (0.44) MPLABCB11F2ESR1PGR
SCHEMBL4515689 0.88 MPL (0.48) MPLABCB11F2ESR1PGR
SCHEMBL4515681 0.88 MPL (0.48) MPLABCB11F2ESR1PGR

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 MPL 1/4885ABCB11 3063/4885F2 247/4885
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 MPL 3714/4885ABCB11 41/4885F2 3280/4885

“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.