SCHEMBL764974

SCHEMBL764974

CC(C)(C(=O)O)C(c1ccccc1)c1ccc(N2CCCC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
CNR2 P34972 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
KDM4E B2RXH2 3/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ADRB2 P07550 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
OGA O60502 1/20 0.39
AOC3 Q16853 2/20 0.39
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMO Q99835 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
SCHEMBL10331381 0.99 CNR2 (0.43) ATMCNR2KMT2AMEN1ME2
SCHEMBL764283 0.89 ALDH1A1 (0.46) CNR2KMT2AMEN1KDM4EPOLB
SCHEMBL764243 0.88 L3MBTL1 (0.42) KMT2AME2ME1ME3KDM4E
SCHEMBL12592339 0.81 MAPT (0.55) CNR2KMT2AMEN1KDM4EPOLB
SCHEMBL2899232 0.80 MAPT (0.53) CNR2KMT2AKDM4ENPC1RAB9A
SCHEMBL751904 0.80 NR3C1 (0.66) NR3C1
SCHEMBL752927 0.79 NR3C1 (0.64) NR3C1
SCHEMBL752641 0.78 CYP1A2 (0.45) CNR2KMT2AKDM4EPOLBNPC1
SCHEMBL751636 0.76 NR3C1 (0.42) ALDH1A1L3MBTL1NR3C1
SCHEMBL2896278 0.74 NR3C1 (0.47) ATMKMT2AAOC3L3MBTL1NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222247-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-8222247-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
EP-2078015-B1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
US-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-01-07 US disclosed
US-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-01-07 US disclosed
WO-2008057859-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-I AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 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 (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-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF NR3C1, NFRKB, RELA ATM 1455/4885CNR2 1341/4885KMT2A 3624/4885

“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.