SCHEMBL1300404

SCHEMBL1300404

CC(C)(C)OC(=O)NCc1cccc(CNC(=O)C2CCC(=O)O2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.45
CREBBP Q92793 1/20 0.45
GLS O94925 5/20 0.44
ROCK2 O75116 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
NAMPT P43490 2/20 0.39
TAS2R8 Q9NYW2 1/20 0.39
P2RX7 Q99572 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TSHR P16473 2/20 0.38
KDM4A O75164 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL1301642 1.00 BRD4 (0.45) BRD4CREBBPGLSROCK2JAK2
SCHEMBL1300406 1.00 BRD4 (0.45) BRD4CREBBPGLSROCK2JAK2
SCHEMBL1299444 0.84 JAK2 (0.43) BRD4CREBBPGLSROCK2JAK2
SCHEMBL1300510 0.79 ROCK2 (0.48) BRD4CREBBPGLSROCK2TSHR
SCHEMBL1299942 0.79 ROCK2 (0.48) BRD4CREBBPGLSROCK2TSHR
SCHEMBL1299941 0.79 ROCK2 (0.48) BRD4CREBBPGLSROCK2TSHR
SCHEMBL16446872 0.78 HPGD (0.57) TSHRLMNACYP3A4CYP2C19
SCHEMBL1299937 0.78 BRD4 (0.41) BRD4CREBBPGLSROCK2JAK2
SCHEMBL1300508 0.78 BRD4 (0.41) BRD4CREBBPGLSROCK2JAK2
SCHEMBL1299939 0.78 BRD4 (0.41) BRD4CREBBPGLSROCK2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542492-B2 Ligand-directed covalent modification of protein CELGENE CAR LLC (BM) 2023-01-03 US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 US disclosed
EP-2519664-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN Avila Therapeutics, Inc. (US) 2012-11-07 EP disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 US disclosed
WO-2011082285-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN AVILA THERAPEUTICS, INC. (US) 2011-07-07 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 (3 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-11542492-B2 Ligand-directed covalent modification of protein PTMS, SPR, DNPEP BRD4 680/4885CREBBP 1118/4885GLS 2093/4885
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN PTMS, SPR, DNPEP BRD4 680/4885CREBBP 1118/4885GLS 2093/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP BRD4 680/4885CREBBP 1118/4885GLS 2093/4885

“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.