SCHEMBL5677285

SCHEMBL5677285

CC(C)(C)OC(=O)NCCNC(=O)c1ccc2sc(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.43
ACKR3 P25106 1/20 0.39
DGAT1 O75907 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
POLB P06746 1/20 0.38
CLK1 P49759 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EGFR P00533 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
RAB9A P51151 1/20 0.35
LCK P06239 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 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
SCHEMBL5677290 0.81 AKT1 (0.35) HDAC1CLK1LMNAL3MBTL1HDAC6
SCHEMBL5896908 0.79 HRH3 (0.42) HDAC1DGAT1ITGB3ITGA2BALDH1A1
SCHEMBL27015387 0.76 HDAC1 (0.40) HDAC1CLK1HDAC6MAPT
SCHEMBL23833149 0.76 HDAC1 (0.40) HDAC1CLK1HDAC6MAPT
SCHEMBL30192993 0.74 HDAC1 (0.39) HDAC1POLBCLK1HDAC6RAB9A
SCHEMBL23833190 0.74 HDAC1 (0.39) HDAC1POLBCLK1HDAC6RAB9A
SCHEMBL30301420 0.73 HDAC3 (0.54) HDAC1DGAT1HDAC6
SCHEMBL27015167 0.73 HDAC3 (0.54) HDAC1DGAT1HDAC6
SCHEMBL284764 0.71 SMN1; SMN2 (0.55) HDAC1POLBLMNAL3MBTL1HDAC6
SCHEMBL25305759 0.70 HDAC1 (0.39) HDAC1CLK1MAPTPPARA

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
US-7141680-B2 Aromatic compounds possessing antifungal or antibacterial activity GENELABS TECHNOLOGIES, INC. 2006-11-28 US disclosed
EP-1556035-A4 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECH INC (US) 2006-09-13 EP disclosed
EP-1556035-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2005-07-27 EP disclosed
WO-2004026264-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2004-04-01 WO disclosed
US-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity SMITHKLINE BEECHAM CORPORATION 2004-04-01 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-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity ZC3HAV1, TYR, ZC3HAV1L HDAC1 227/4885ACKR3 3324/4885DGAT1 2863/4885

“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.