SCHEMBL3544099

SCHEMBL3544099

CC(C)(C)OC(=O)c1cnc(C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.36
GABRA1 P14867 3/20 0.36
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA5 P31644 3/20 0.36
GABRA3 P34903 3/20 0.36
GABRA2 P47869 3/20 0.36
GABRA4 P48169 3/20 0.36
GABRA6 Q16445 3/20 0.36
MET P08581 1/20 0.35
S1PR3 Q99500 2/20 0.34
S1PR1 P21453 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FPR2 P25090 2/20 0.33
SCN9A Q15858 2/20 0.33
APP P05067 1/20 0.33
SLC7A5 Q01650 1/20 0.33
TET2 Q6N021 1/20 0.32

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
SCHEMBL4799445 0.89 SLC7A5 (0.38) MAPK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL29993428 0.77 MAPK1 (0.45) LMNAKMT2AMAPK1S1PR3FPR2
SCHEMBL1257077 0.77 MAPK1 (0.45) LMNAKMT2AMAPK1S1PR3FPR2
SCHEMBL23730750 0.77 MAPK1 (0.45) LMNAKMT2AMAPK1GABRA1GABRG2
SCHEMBL30047650 0.77 TDP1 (0.42) MAPK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL21702362 0.77 TDP1 (0.42) MAPK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL17785020 0.76 S1PR1 (0.49) KMT2AS1PR3S1PR1TDP1CA12
SCHEMBL16522670 0.76 KMT2A (0.40) LMNAKMT2AMAPK1S1PR3S1PR1
SCHEMBL30979514 0.76 KMT2A (0.40) LMNAKMT2AMAPK1S1PR3S1PR1
SCHEMBL3538784 0.73 LMNA (0.41) LMNAKMT2AMAPK1GABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829586-B2 Aryl-substituted nitrogen-containing heterocyclic compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-09 US disclosed
US-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds MSD K.K. (JP) 2009-11-05 US 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-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds OPRL1, NPSR1, NPBWR1 LMNA 3162/4885KMT2A 2608/4885MAPK1 551/4885

“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.