SCHEMBL4984472

SCHEMBL4984472

CC(=O)Nc1nc(CCc2ccc(NC(N(C(=O)O)C(C)(C)C)N(C(=O)O)C(C)(C)C)cc2)c(C(=O)NCCCC(=O)N2CCCCC2)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
HPGD P15428 4/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
SIGMAR1 Q99720 1/20 0.32
TSHR P16473 1/20 0.32
AOC3 Q16853 3/20 0.32
USP28 Q96RU2 1/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL4991683 0.93 ALDH1A1 (0.38) ALDH1A1GAATSHRAOC3USP28
SCHEMBL4982416 0.88 AOC3 (0.35) POLBAOC3MAPT
SCHEMBL4872003 0.86 POLB (0.36) ALDH1A1HPGDGAAALOX15USP2
SCHEMBL4986159 0.86 AOC3 (0.37) AOC3
SCHEMBL4989625 0.85 AOC3 (0.34) POLBAOC3MAPT
SCHEMBL4984749 0.85 RAB9A (0.41) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL4875746 0.85 GHSR (0.36) HPGDAOC3
SCHEMBL4992580 0.85 TBK1 (0.34) POLBAOC3MAPT
SCHEMBL4989664 0.84 MAPT (0.42) ALDH1A1GAATSHRLMNAMEN1
SCHEMBL4982245 0.84 AOC3 (0.36) POLBAOC3MAPT

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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 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 (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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB ALDH1A1 927/4885HPGD 883/4885GAA 1570/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 ALDH1A1 260/4885HPGD 947/4885GAA 2111/4885

“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.