SCHEMBL3816031

SCHEMBL3816031

CCOC(=O)c1cn(CC)c2ccc(OCCSCCNC(=O)OC(C)(C)C)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
HPGD P15428 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.40
PTGS2 P35354 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL3816207 0.91 KDM4E (0.55) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL3816675 0.85 LMNA (0.55) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL3811662 0.81 LMNA (0.52) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL3982430 0.79 LMNA (0.56) LMNAHPGDKDM4EALDH1A1HSD17B10
Formic Acid SCHEMBL4392627 0.79 LMNA (0.49) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL3815910 0.79 LMNA (0.49) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL4175944 0.79 LMNA (0.46) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL4541684 0.79 KDM4E (0.57) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL3816761 0.78 LMNA (0.67) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL5432054 0.78 LMNA (0.54) LMNAHPGDKDM4EALDH1A1HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756135-B1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ZAGREB (HR) 2009-08-12 EP disclosed
US-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB (HR) 2008-10-16 US disclosed
EP-1756135-A1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2007-02-28 EP disclosed
WO-2005108412-A1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (US) 2005-11-17 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-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections CYP51A1, TLR5, MALT1 LMNA 2596/4885HPGD 1842/4885KDM4E 2612/4885

“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.