SCHEMBL5677290

SCHEMBL5677290

CCN(NC(=O)OC(C)(C)C)C(=O)c1ccc2sc(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.35
HDAC1 Q13547 3/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
CLK1 P49759 5/20 0.33
DYRK1A Q13627 4/20 0.33
CLK2 P49760 2/20 0.33
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DYRK1B Q9Y463 2/20 0.32
CLK4 Q9HAZ1 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
STING1 Q86WV6 1/20 0.32
LCK P06239 2/20 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
SCHEMBL5677285 0.81 HDAC1 (0.43) HDAC1HPGDCLK1LMNAL3MBTL1
SCHEMBL5896917 0.80 HRH3 (0.41) HPGDKMT2ALMNAL3MBTL1
SCHEMBL2789271 0.73 AKT1 (0.44) AKT1
SCHEMBL30192993 0.71 HDAC1 (0.39) HDAC1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL23833190 0.71 HDAC1 (0.39) HDAC1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL27015387 0.71 HDAC1 (0.40) HDAC1KMT2ACLK1DYRK1ACLK2
SCHEMBL23833149 0.71 HDAC1 (0.40) HDAC1KMT2ACLK1DYRK1ACLK2
SCHEMBL5896966 0.68 HRH3 (0.46) AKT1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL5896915 0.68 HRH3 (0.57) HPGDKMT2ALMNAL3MBTL1
SCHEMBL1887657 0.67 HDAC1 (0.55) HDAC1HPGDKMT2ACLK1DYRK1A

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 AKT1 2563/4885HDAC1 227/4885CYP1A2 1179/4885

“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.