SCHEMBL13246789

SCHEMBL13246789

CCCCCCC12CCC(C(=O)C(C)(C)C)(CC1)CC2

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.46
IDH1 O75874 1/20 0.37
DPP4 P27487 1/20 0.37
FAP Q12884 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
CES1 P23141 6/20 0.32
CES2 O00748 4/20 0.32
CYP19A1 P11511 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
GAA P10253 1/20 0.32
FAAH O00519 4/20 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
SCHEMBL13246788 0.98 CCR2 (0.47) CCR2IDH1DPP4FAPDPP7
SCHEMBL9476266 0.80 CCR2 (0.43) CCR2IDH1
SCHEMBL9479868 0.80 CCR2 (0.43) CCR2IDH1
SCHEMBL9652423 0.80 CCR2 (0.43) CCR2IDH1
SCHEMBL17284890 0.80 CCR2 (0.43) CCR2IDH1DPP4FAPDPP7
SCHEMBL9477120 0.80 CCR2 (0.43) CCR2IDH1
SCHEMBL9476457 0.80 CCR2 (0.43) CCR2IDH1
SCHEMBL15177359 0.78 CCR2 (0.44) CCR2IDH1DPP4FAPDPP7
SCHEMBL836834 0.78 CCR2 (0.44) CCR2IDH1DPP4FAPDPP7
SCHEMBL18905948 0.77 CYP4F2 (0.40) CCR2IDH1DPP4FAPDPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. 2010-07-22 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 (3 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-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 CCR2 1240/4885IDH1 4657/4885DPP4 512/4885
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 CCR2 1240/4885IDH1 4657/4885DPP4 512/4885
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 CCR2 1240/4885IDH1 4657/4885DPP4 512/4885

“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.