SCHEMBL4494650

SCHEMBL4494650

CCOC(=O)/C(C)=C\c1c(F)cc(Br)cc1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
MAPK1 P28482 1/20 0.45
GPR35 Q9HC97 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTP4A1 Q93096 1/20 0.39
PTGS2 P35354 1/20 0.36
GLO1 Q04760 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4493919 1.00 MAPT (0.45) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL4493918 1.00 MAPT (0.45) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL8376053 0.89 MAPT (0.46) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL8376055 0.89 MAPT (0.46) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL3064697 0.81 GPR35 (0.50) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL3064694 0.81 GPR35 (0.50) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL18512326 0.80 ALDH1A1 (0.47) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL21112029 0.78 GAA (0.46) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL13101313 0.78 GPR35 (0.47) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL4498131 0.76 AKR1C3 (0.42) MAPTLMNASMN1; SMN2

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 MAPT 4201/4885LMNA 4108/4885MEN1 534/4885
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 MAPT 3495/4885LMNA 1194/4885MEN1 245/4885

“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.