SCHEMBL559017

SCHEMBL559017

CC(C)(C)C(CCCl)NC(=O)O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL333214 0.88 MEN1 (0.32) MEN1GAAKMT2A
SCHEMBL3899245 0.83 GRN (0.31) GRNSORT1
SCHEMBL4070665 0.82 MMP1 (0.34) MEN1GAAKMT2A
SCHEMBL10830748 0.81 CHRM1 (0.44)
SCHEMBL1132971 0.81 MEN1 (0.31) MEN1GAAKMT2A
SCHEMBL4067055 0.79 MEN1 (0.30) MEN1GAAKMT2A
SCHEMBL657408 0.79 GABRR1 (0.45)
SCHEMBL3641426 0.79 ALDH1A1 (0.31) MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL1026854 0.78 GABRR1 (0.43)
SCHEMBL29029802 0.78 CA2 (0.50)

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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 GRN 2731/4885SORT1 4376/4885MEN1 2633/4885

“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.