SCHEMBL13139277

SCHEMBL13139277

CC(=O)CCOCc1cn(CCOCC[18F])nn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.47
MMP9 P14780 10/20 0.47
MMP8 P22894 10/20 0.47
MMP13 P45452 10/20 0.47
DGAT1 O75907 6/20 0.43
DRD2 P14416 3/20 0.43
DRD4 P21917 3/20 0.43
DRD3 P35462 3/20 0.43
APP P05067 1/20 0.42

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
SCHEMBL16180807 1.00 MMP2 (0.47) MMP2MMP9MMP8MMP13DGAT1
SCHEMBL17776308 0.92 DGAT1 (0.48) MMP2MMP9MMP8MMP13DGAT1
SCHEMBL21537936 0.89 DGAT1 (0.45) MMP2MMP9MMP8MMP13DGAT1
SCHEMBL13139325 0.87 MMP2 (0.47) MMP2MMP9MMP8MMP13DGAT1
SCHEMBL24276657 0.84 DGAT1 (0.53) MMP2MMP9MMP8MMP13DGAT1
SCHEMBL18768971 0.84 DGAT1 (0.53) MMP2MMP9MMP8MMP13DGAT1
SCHEMBL17300275 0.83 DRD2 (0.47) MMP2MMP9MMP8MMP13DRD2
SCHEMBL17776309 0.83 CSNK2A1 (0.41) MMP2MMP9MMP8MMP13DGAT1
SCHEMBL27269271 0.83 GBA1 (0.39) MMP2MMP9MMP8MMP13DGAT1
SCHEMBL24450930 0.82 DGAT1 (0.39) MMP2MMP9MMP8MMP13DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130216475-A1 METHODS AND COMPOSITIONS FOR PROTEIN LABELLING GENENTECH, INC. (US) 2013-08-22 US disclosed
US-8435488-B2 Methods and compositions for protein labelling GENENTECH, INC. (US) 2013-05-07 US disclosed
US-20100221176-A1 METHODS AND COMPOSITIONS FOR PROTEIN LABELLING GENENTECH, INC. 2010-09-02 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-20100221176-A1 METHODS AND COMPOSITIONS FOR PROTEIN LABELLING RAB5IF, RPS27A, PSMA6 MMP2 2715/4885MMP9 4364/4885MMP8 2553/4885
US-20130216475-A1 METHODS AND COMPOSITIONS FOR PROTEIN LABELLING RAB5IF, RPS27A, PSMA6 MMP2 2715/4885MMP9 4364/4885MMP8 2553/4885

“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.