SCHEMBL2523673

SCHEMBL2523673

CC(C)(C)N(C[C@@H]1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.36
BPTF Q12830 1/20 0.34
FFAR4 Q5NUL3 3/20 0.33
LIPG Q9Y5X9 2/20 0.33
RBP4 P02753 1/20 0.33
ROCK1 Q13464 1/20 0.32
LPL P06858 1/20 0.32
EPHX2 P34913 1/20 0.32
BCL9 O00512 1/20 0.32
CTNNB1 P35222 1/20 0.32
USP30 Q70CQ3 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 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
SCHEMBL2524532 0.82 EPHX2 (0.45) NOTUMBPTFFFAR4EPHX2BCL9
SCHEMBL902233 0.81 NOTUM (0.35) NOTUMFFAR4LIPGROCK1LPL
SCHEMBL14905664 0.81 EPHX2 (0.43) NOTUMBPTFEPHX2
SCHEMBL14905665 0.80 NOTUM (0.40) NOTUM
SCHEMBL24846896 0.78 LIPG (0.40) BPTFFFAR4LIPGROCK1LPL
SCHEMBL30180197 0.78 LIPG (0.40) BPTFFFAR4LIPGROCK1LPL
SCHEMBL13420961 0.78 NOTUM (0.60) NOTUM
SCHEMBL26881403 0.76 SETD2 (0.47) NOTUM
SCHEMBL25966618 0.76 SETD2 (0.47) NOTUM
SCHEMBL3723644 0.75 HTR6 (0.38) NOTUMLIPGLPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-10-13 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-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 NOTUM 3957/4885BPTF 3786/4885FFAR4 2747/4885

“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.