SCHEMBL805252

SCHEMBL805252

C=C(C)C[C@@H](NC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.47
SORT1 Q99523 1/20 0.47
TGFBR1 P36897 2/20 0.44
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS2 P35354 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CTSL P07711 1/20 0.34
FOLH1 Q04609 3/20 0.33
NAALAD2 Q9Y3Q0 3/20 0.33
TET2 Q6N021 3/20 0.32
TET3 O43151 1/20 0.32
TET1 Q8NFU7 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
SCHEMBL26278525 0.84 GRN (0.38) GRNSORT1TGFBR1CTSL
SCHEMBL19359995 0.81 ALDH1A1 (0.42) GRNSORT1TGFBR1KDM4EMAPT
SCHEMBL934011 0.81 ALDH1A1 (0.42) GRNSORT1TGFBR1KDM4EMAPT
SCHEMBL12580526 0.81 ALDH1A1 (0.42) GRNSORT1TGFBR1KDM4EMAPT
SCHEMBL29987645 0.81 ALDH1A1 (0.42) GRNSORT1TGFBR1KDM4EMAPT
Hydrochloric Acid SCHEMBL3908348 0.79 ALDH1A1 (0.40) GRNSORT1TGFBR1KDM4EMAPT
N-Methyl-D-Aspartic Acid (Nmda) SCHEMBL28052876 0.79 CA2 (0.42) TGFBR1SMN1; SMN2MMEGNPAT
N-Methyl-D-Aspartic Acid (Nmda) SCHEMBL167682 0.78 CA2 (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL19263982 0.78 GRN (0.33) GRNSORT1
N-Methyl-D-Aspartic Acid (Nmda) SCHEMBL18528187 0.78 CA2 (0.45) KDM4EMAPTTHRBALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071329-A1 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES GLAXOSMITHKLINE LLC (US) 2012-03-22 US disclosed
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2011-10-13 US disclosed
US-7989395-B2 Methods for identifying compounds of interest using encoded libraries GLAXOSMITHKLINE LLC (US) 2011-08-02 US disclosed
US-7972992-B2 Solid phase synthesis PRAECIS PHARMACEUTICALS, INC. (US) 2011-07-05 US disclosed
EP-2338990-A2 Methods for synthesis of encoded libraries Praecis Pharmaceuticals Inc. (US) 2011-06-29 EP disclosed
US-7935658-B2 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
US-20090062147-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2009-03-05 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-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT GRN 4358/4885SORT1 2143/4885TGFBR1 4810/4885

“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.