SCHEMBL2723398

SCHEMBL2723398

COC(=O)CC[C@H](N)C(=O)ON

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.51
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
LTA4H P09960 3/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
CA14 Q9ULX7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34
GRIN2D O15399 1/20 0.34

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
SCHEMBL131050 0.88 SLC1A1 (0.55) SLC1A1TSHRLMNAKDM4EMGAM
SCHEMBL131049 0.88 SLC1A1 (0.55) SLC1A1TSHRLMNAKDM4EMGAM
SCHEMBL1318285 0.88 SLC1A1 (0.55) SLC1A1TSHRLMNAKDM4EMGAM
Hydrochloric Acid SCHEMBL624145 0.86 SLC1A1 (0.53) SLC1A1TSHRLMNAKDM4EMGAM
SCHEMBL28180863 0.86 SLC1A1 (0.53) SLC1A1TSHRLMNAKDM4EMGAM
Hydrochloric Acid SCHEMBL624146 0.86 SLC1A1 (0.53) SLC1A1TSHRLMNAKDM4EMGAM
Hydrochloric Acid SCHEMBL1238805 0.86 SLC1A1 (0.53) SLC1A1TSHRLMNAKDM4EMGAM
SCHEMBL1373976 0.85 SLC1A1 (0.38) SLC1A1LMNALTA4HKMT2AGRM8
SCHEMBL648219 0.85 SLC1A1 (0.38) SLC1A1LMNALTA4HKMT2AGRM8
SCHEMBL3510151 0.85 SLC1A1 (0.38) SLC1A1LMNALTA4HKMT2AGRM8

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-9029501-B2 Method for making macrocycles RIGEL PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
US-20130217874-A1 METHOD FOR MAKING MACROCYCLES RIGEL PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
WO-2012061408-A2 METHOD FOR MAKING MACROCYCLES RIGEL PHARMACEUTICALS. INC. (US) 2012-05-10 WO 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-20130217874-A1 METHOD FOR MAKING MACROCYCLES EZR, SQLE, CBR3 SLC1A1 4704/4885TSHR 3677/4885LMNA 1935/4885

“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.