SCHEMBL3021878

SCHEMBL3021878

CCOC(=O)C(CC(=O)c1ccc(Cl)cc1)C(=O)CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
KMT2A Q03164 4/20 0.48
NPC1 O15118 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GSK3B P49841 2/20 0.45
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 2/20 0.42
EPHX2 P34913 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL28802831 0.91 L3MBTL1 (0.54) L3MBTL1KMT2ANPC1MEN1POLB
SCHEMBL7371528 0.87 L3MBTL1 (0.50) L3MBTL1KMT2ANPC1MEN1POLB
SCHEMBL2884408 0.87 L3MBTL1 (0.50) L3MBTL1KMT2ANPC1MEN1POLB
SCHEMBL2070001 0.85 KMT2A (0.67) L3MBTL1KMT2ANPC1MEN1POLB
SCHEMBL9019162 0.84 L3MBTL1 (0.48) L3MBTL1KMT2ANPC1MEN1POLB
SCHEMBL3030211 0.82 KMT2A (0.58) L3MBTL1KMT2ANPC1MEN1POLB
SCHEMBL3022185 0.81 L3MBTL1 (0.45) L3MBTL1KMT2ANPC1MEN1POLB
SCHEMBL27130183 0.80 L3MBTL1 (0.52) L3MBTL1KMT2ANPC1MEN1POLB
SCHEMBL5097060 0.80 L3MBTL1 (0.52) L3MBTL1KMT2ANPC1MEN1POLB
SCHEMBL27006319 0.80 L3MBTL1 (0.52) L3MBTL1KMT2ANPC1MEN1POLB

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-8609713-B2 Pyrrole derivatives and their methods of use ABBVIE INC. (US) 2013-12-17 US disclosed
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-7741364-B2 Neuronal nicotinic acetylcholine receptor modulators; such as ethyl 1-[4-(aminosulfonyl)phenyl]-5-(4-bromophenyl)-2-methyl-1H-pyrrole-3-carboxylate ABBOTT LABORATORIES (US) 2010-06-22 US disclosed
CN-101479241-A Pyrrole derivatives and their methods of use ABBOTT LAB (US) 2009-07-08 CN disclosed
US-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-13 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-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE PYCR1, PPOX, DHPS L3MBTL1 4423/4885KMT2A 2578/4885NPC1 3463/4885
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use PYCR1, PPOX, DHPS L3MBTL1 4423/4885KMT2A 2578/4885NPC1 3463/4885

“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.