SCHEMBL11929784

SCHEMBL11929784

COC(=O)C(C(C)CI)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
PLAU P00749 1/20 0.43
ELANE P08246 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL17237483 1.00 TP53 (0.48) TP53POLBALDH1A1LMNAHTT
SCHEMBL17237481 0.84 TP53 (0.51) TP53POLBALDH1A1LMNAHTT
SCHEMBL1810083 0.82 TP53 (0.45) TP53POLBALDH1A1LMNAHTT
SCHEMBL11929781 0.82 TP53 (0.45) TP53POLBALDH1A1LMNAHTT
SCHEMBL1812413 0.82 TP53 (0.45) TP53POLBALDH1A1LMNAHTT
SCHEMBL1811054 0.82 TP53 (0.45) TP53POLBALDH1A1LMNAHTT
SCHEMBL1808319 0.82 TP53 (0.45) TP53POLBALDH1A1LMNAHTT
SCHEMBL28575796 0.82 TP53 (0.52) TP53POLBALDH1A1LMNAHTT
SCHEMBL5839153 0.77 LMNA (0.60) POLBALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1808079 0.76 TP53 (0.43) TP53POLBALDH1A1LMNAHTT

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
EP-2493843-B1 2-AMINO-3-METHYL-HEX-5-ENOIC ACID AND ITS USE IN THE PRODUCTION OF PEPTIDES SUCH AS BACITRACINS XELLIA PHARMACEUTICALS APS (DK) 2015-11-11 EP disclosed
US-20120202968-A1 2-Amino-3-methyl-hex-5-enoic acid and its use in the prodction of peptides such as bacitracins XELLIA PHARMACEUTICALS APS (DK) 2012-08-09 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-20120202968-A1 2-Amino-3-methyl-hex-5-enoic acid and its use in the prodction of peptides such as bacitracins HM13, PEPD, DNPEP TP53 3696/4885POLB 2805/4885ALDH1A1 2481/4885

“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.