SCHEMBL4222018

SCHEMBL4222018

CC(=O)c1ccc(OCCOc2c(-c3ccc(F)c(F)c3)n(C)c3ccccc3c2=O)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
PKM P14618 1/20 0.40
PLA2G2A P14555 1/20 0.38
BRD4 O60885 6/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SYK P43405 1/20 0.36
MCHR1 Q99705 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL4213424 0.92 L3MBTL1 (0.42) L3MBTL1PKMPLA2G2ABRD4ALDH1A1
SCHEMBL5046042 0.92 BRD4 (0.43) L3MBTL1PKMPLA2G2ABRD4SYK
SCHEMBL4218108 0.89 HTT (0.44) L3MBTL1PKMBRD4ALDH1A1HPGD
SCHEMBL4221109 0.87 ALDH1A1 (0.41) L3MBTL1PKMBRD4ALDH1A1KDM4E
SCHEMBL4046139 0.85 L3MBTL1 (0.37) L3MBTL1PKMPLA2G2ABRD4TP53
SCHEMBL4044752 0.85 L3MBTL1 (0.37) L3MBTL1PKMPLA2G2ABRD4TP53
SCHEMBL14011424 0.83 L3MBTL1 (0.36) L3MBTL1PKMPLA2G2ABRD4
SCHEMBL4207932 0.83 ADRB2 (0.39) L3MBTL1ALDH1A1HPGDBCL9CTNNB1
SCHEMBL4221582 0.82 BCL9 (0.36) L3MBTL1BRD4SYKBCL9CTNNB1
SCHEMBL4220227 0.80 BRD4 (0.44) L3MBTL1PLA2G2ABRD4SYK

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
EP-1678157-A4 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF REDDY US THERAPEUTICS INC (US) 2009-03-18 EP disclosed
US-7456288-B2 Heterocyclic compounds and methods of making and using thereof REDDY US THERAPEUTICS, INC. (US) 2008-11-25 US disclosed
EP-1678157-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF Reddy US Therapeutics, Inc. (US) 2006-07-12 EP disclosed
US-20050119269-A1 Heterocyclic compounds and methods of making and using thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-02 US disclosed
WO-2005042712-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF REDDY US THERAPEUTICS, INC. (US) 2005-05-12 WO disclosed
WO-2005040163-A1 HETEROCYCLIC COMPOUNDS THAT BLOCK THE EFFECTS OF ADVANCED GLYCATION END PRODUCTS (AGE) DR. REDDY'S LABORATORIES LTD (IN) 2005-05-06 WO 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 (1 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-20050119269-A1 Heterocyclic compounds and methods of making and using thereof PYGM, MYLK, HMOX1 L3MBTL1 4807/4885PKM 446/4885PLA2G2A 2318/4885

“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.