SCHEMBL2401096

SCHEMBL2401096

CC(C)(C)NC(=O)[C@@H]1CCC(NC(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
BTK Q06187 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 3/20 0.35
KMT2A Q03164 2/20 0.35
EPHX2 P34913 1/20 0.35
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
EPHX1 P07099 1/20 0.32
FASN P49327 1/20 0.31
GLA P06280 1/20 0.31
TP53 P04637 1/20 0.31
HSD11B1 P28845 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL12540389 1.00 ALDH1A1 (0.38) ALDH1A1LMNAL3MBTL1BTKSMN1; SMN2
SCHEMBL482252 0.91 LMNA (0.40) ALDH1A1LMNAL3MBTL1SMN1; SMN2POLB
SCHEMBL3209818 0.91 LMNA (0.40) ALDH1A1LMNAL3MBTL1SMN1; SMN2POLB
SCHEMBL12814495 0.83 LMNA (0.36) ALDH1A1LMNABTKSMN1; SMN2KMT2A
SCHEMBL12540850 0.83 LMNA (0.36) ALDH1A1LMNABTKSMN1; SMN2KMT2A
SCHEMBL5657066 0.79 CHRNB2 (0.41) ALDH1A1L3MBTL1BTKSMN1; SMN2POLB
SCHEMBL5660203 0.79 CHRNB2 (0.41) ALDH1A1L3MBTL1BTKSMN1; SMN2POLB
SCHEMBL1811527 0.79 BTK (0.37) ALDH1A1LMNABTKPOLBEPHX2
SCHEMBL103478 0.78 POLB (0.47) ALDH1A1LMNAL3MBTL1SMN1; SMN2POLB
SCHEMBL20939108 0.78 L3MBTL1 (0.39) ALDH1A1LMNAL3MBTL1SMN1; SMN2POLB

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-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 US disclosed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 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 (2 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-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 ALDH1A1 2914/4885LMNA 1506/4885L3MBTL1 2099/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 ALDH1A1 2914/4885LMNA 1506/4885L3MBTL1 2099/4885

“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.