SCHEMBL5896908

SCHEMBL5896908

CC(C)(C)OC(=O)NCCNC(=O)c1ccc2[nH]c(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
LEF1 Q9UJU2 1/20 0.41
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
BCHE P06276 1/20 0.40
KDM4E B2RXH2 3/20 0.40
HPN P05981 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ITGB3 P05106 6/20 0.38
ITGA2B P08514 6/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
DGAT1 O75907 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
XDH P47989 1/20 0.38
PYGL P06737 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
SCHEMBL5896906 0.86 HRH3 (0.60) HRH3MMP2MMP13KDM4EALDH1A1
SCHEMBL5896957 0.85 HRH3 (0.46) HRH3BCHEKDM4EHPNALDH1A1
SCHEMBL20289864 0.82 KDM4E (0.49) HRH3LEF1KDM4EALDH1A1MAPT
SCHEMBL20266986 0.81 HRH3 (0.52) HRH3KDM4EALDH1A1MAPTITGB3
SCHEMBL5896917 0.81 HRH3 (0.41) HRH3LEF1MMP2MMP13KDM4E
SCHEMBL5896935 0.79 LEF1 (0.58) LEF1MMP13KDM4EALDH1A1MAPT
SCHEMBL5889520 0.79 HRH3 (0.52) HRH3MMP2MMP13KDM4EALDH1A1
SCHEMBL5677285 0.79 HDAC1 (0.43) KDM4EALDH1A1MAPTITGB3ITGA2B
SCHEMBL5897606 0.78 LEF1 (0.50) LEF1KDM4EALDH1A1MAPTITGB3
SCHEMBL5896717 0.77 HRH3 (0.46) HRH3LEF1MMP2MMP13KDM4E

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-7141680-B2 Aromatic compounds possessing antifungal or antibacterial activity GENELABS TECHNOLOGIES, INC. 2006-11-28 US 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 HRH3 1724/4885LEF1 1977/4885MMP2 1382/4885

“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.