SCHEMBL4869919

SCHEMBL4869919

C=CCC1(F)C[C@@H]([12C](=O)OC)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.35
PTPN1 P18031 1/20 0.35
IMPDH2 P12268 3/20 0.35
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
CYP19A1 P11511 1/20 0.31
PEPD P12955 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EPHX2 P34913 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP3A4 P08684 2/20 0.30
MAPT P10636 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
FKBP1A P62942 1/20 0.30

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
SCHEMBL5511725 1.00 HDAC8 (0.35) HDAC8PTPN1IMPDH2NR1H2NR1H3
SCHEMBL5507411 0.88 HSD17B10 (0.35) HDAC8SMN1; SMN2
SCHEMBL5507410 0.88 HSD17B10 (0.35) HDAC8SMN1; SMN2
SCHEMBL17973835 0.86 HDAC8 (0.38) HDAC8PTPN1IMPDH2NR1H2NR1H3
SCHEMBL16647822 0.85 HDAC8 (0.38) HDAC8PTPN1IMPDH2NR1H2NR1H3
SCHEMBL16647803 0.85 IMPDH2 (0.38) HDAC8PTPN1IMPDH2NR1H2NR1H3
SCHEMBL4870402 0.84 IMPDH2 (0.37) HDAC8PTPN1IMPDH2NR1H2NR1H3
SCHEMBL5514436 0.84 IMPDH2 (0.37) HDAC8PTPN1IMPDH2NR1H2NR1H3
SCHEMBL4870352 0.83 HDAC8 (0.39) HDAC8PTPN1IMPDH2NR1H2NR1H3
SCHEMBL5520574 0.83 HDAC8 (0.34) HDAC8PTPN1IMPDH2NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361743-B2 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides PFIZER INC (US) 2008-04-22 US disclosed
US-7256177-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-08-14 US disclosed
EP-1814893-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2007-08-08 EP disclosed
US-20060148722-A1 Novel lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-07-06 US disclosed
WO-2006055070-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2006-05-26 WO disclosed
US-20050215488-A1 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides VICURON PHARMACEUTICALS INC. 2005-09-29 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-20060148722-A1 Novel lincomycin derivatives possessing antibacterial activity LCLAT1, LAS1L, NRDC HDAC8 132/4885PTPN1 4310/4885IMPDH2 1097/4885
US-20050215488-A1 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides PAM, MLYCD, PPT1 HDAC8 206/4885PTPN1 2340/4885IMPDH2 275/4885

“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.