SCHEMBL4498135

SCHEMBL4498135

COC(=Cc1c(F)cc(Br)cc1F)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.37
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TUBB1 Q9H4B7 2/20 0.35
HSD17B10 Q99714 1/20 0.33
MAPT P10636 3/20 0.32
NPC1 O15118 2/20 0.32
LMNA P02545 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
DGAT1 O75907 1/20 0.32
HPGD P15428 1/20 0.31
GPR35 Q9HC97 1/20 0.31
SOS1 Q07889 1/20 0.31
PKM P14618 1/20 0.30
GAA P10253 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4498128 1.00 NOTUM (0.37) NOTUMALDH1A1L3MBTL1TUBB1HSD17B10
SCHEMBL13606568 0.87 NOTUM (0.37) NOTUMALDH1A1L3MBTL1TUBB1HSD17B10
SCHEMBL4498131 0.79 AKR1C3 (0.42) ALDH1A1MAPTNPC1LMNARAB9A
SCHEMBL2085232 0.71 TTR (0.42) ALDH1A1HSD17B10MAPTSMN1; SMN2HPGD
SCHEMBL2085231 0.71 TTR (0.42) ALDH1A1HSD17B10MAPTSMN1; SMN2HPGD
SCHEMBL4216117 0.70 MEN1 (0.47) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL4216114 0.70 MEN1 (0.47) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL9062702 0.69 AKR1C3 (0.50) ALDH1A1L3MBTL1MAPTNPC1LMNA
SCHEMBL4494650 0.68 MAPT (0.45) MAPTLMNASMN1; SMN2GPR35GAA
SCHEMBL4493918 0.68 MAPT (0.45) MAPTLMNASMN1; SMN2GPR35GAA

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 NOTUM 4035/4885ALDH1A1 2953/4885L3MBTL1 941/4885
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 NOTUM 1492/4885ALDH1A1 10/4885L3MBTL1 105/4885

“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.