SCHEMBL2606754

SCHEMBL2606754

CC(C)(C)C(=O)Nc1ccccc1I

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.61
SIGMAR1 Q99720 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 3/20 0.46
LMNA P02545 3/20 0.46
ALOX12 P18054 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PDK1 Q15118 3/20 0.44
PDK2 Q15119 3/20 0.44
PDK3 Q15120 3/20 0.44
PDK4 Q16654 3/20 0.44
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL29738227 1.00 CETP (0.61) CETPSIGMAR1L3MBTL1RAB9AMEN1
SCHEMBL5706504 0.86 CETP (0.71) CETPL3MBTL1RAB9AMEN1KMT2A
SCHEMBL2087952 0.82 CETP (0.67) CETPL3MBTL1RAB9AMEN1KMT2A
SCHEMBL6349972 0.81 PDK1 (0.69) PDK1PDK2PDK3PDK4
SCHEMBL1542482 0.81 TP53 (0.51) SIGMAR1L3MBTL1RAB9AMEN1KMT2A
SCHEMBL397003 0.78 PDK1 (0.67) CETPL3MBTL1RAB9AKDM4ELMNA
SCHEMBL2301094 0.78 CETP (0.68) CETPL3MBTL1RAB9AMEN1KMT2A
SCHEMBL8243174 0.78 CETP (0.62) CETPL3MBTL1RAB9AMEN1KMT2A
SCHEMBL74521 0.78 ALDH1A1 (0.61) SIGMAR1RAB9AMEN1KMT2AKDM4E
SCHEMBL3535796 0.77 PDK1 (0.68) CETPL3MBTL1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114890856-B Method for synthesizing 2,2' -biphenyl-1-carboxylic acid derivative 华南理工大学 2023-08-22 CN disclosed
CN-114890856-A Method for synthesizing 2,2' -biphenyl-1-carboxylic acid derivative 华南理工大学 2022-08-12 CN disclosed
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed
US-20090298745-A1 Treatment of Diabetes with Glycogen Phosphorylase Inhibitors PROSIDION LIMITED (GB) 2009-12-03 US disclosed
US-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LIMITED (GB) 2009-04-16 US disclosed
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 US disclosed
US-7405210-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase OSI PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE BRADLEY STUART E 2007-10-18 US disclosed
US-7186830-B2 Tricyclic 2-pyrimidone compounds useful as HIV reverse transcriptase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-06 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 (4 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-20090298745-A1 Treatment of Diabetes with Glycogen Phosphorylase Inhibitors PYGL, PYGM, G6PC1 CETP 728/4885SIGMAR1 3994/4885L3MBTL1 3948/4885
US-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PC, GOT2, PDK1 CETP 96/4885SIGMAR1 4081/4885L3MBTL1 3998/4885
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE PYGL, PYGM, PYGB CETP 140/4885SIGMAR1 4002/4885L3MBTL1 3836/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB CETP 140/4885SIGMAR1 4002/4885L3MBTL1 3836/4885

“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.