SCHEMBL4044326

SCHEMBL4044326

C/C(=C1\SC(=O)NC1=O)c1ccc(OCCOc2c(-c3ccc(F)c(F)c3)n(C)c3ccccc3c2=O)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
XBP1 P17861 1/20 0.33
HPGD P15428 8/20 0.33
PLA2G2A P14555 1/20 0.33
PKM P14618 1/20 0.32
BRD4 O60885 1/20 0.32
HTT P42858 1/20 0.32
CISD1 Q9NZ45 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
S1PR2 O95136 1/20 0.30
THRB P10828 1/20 0.30
MAPT P10636 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
SCHEMBL4039778 1.00 L3MBTL1 (0.37) L3MBTL1XBP1HPGDPLA2G2APKM
SCHEMBL14011579 1.00 L3MBTL1 (0.37) L3MBTL1XBP1HPGDPLA2G2APKM
SCHEMBL4046139 0.93 L3MBTL1 (0.37) L3MBTL1PLA2G2APKMBRD4
SCHEMBL4044752 0.93 L3MBTL1 (0.37) L3MBTL1PLA2G2APKMBRD4
SCHEMBL4043747 0.93 HPGD (0.33) XBP1HPGD
SCHEMBL4043742 0.93 HPGD (0.33) XBP1HPGD
SCHEMBL5044371 0.92 HPGD (0.32) HPGDBRD4HTT
SCHEMBL4039480 0.92 HPGD (0.32) HPGDBRD4HTT
SCHEMBL5046922 0.91 HPGD (0.36) L3MBTL1XBP1HPGDPLA2G2APKM
SCHEMBL5048975 0.91 BRD4 (0.34) L3MBTL1PKMBRD4HTTTHRB

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-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

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 4807/4885XBP1 690/4885HPGD 49/4885

“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.