SCHEMBL764287

SCHEMBL764287

CC(C)(C(=O)O)C(c1ccccc1)c1cnc(N2CCOCC2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
P2RY12 Q9H244 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
TP53 P04637 5/20 0.40
THRB P10828 2/20 0.40
MAOB P27338 1/20 0.39
LMNA P02545 3/20 0.39
P2RX7 Q99572 1/20 0.39
GRM4 Q14833 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 1/20 0.39
CYP3A4 P08684 1/20 0.38
HIF1A Q16665 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 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
SCHEMBL751680 0.82 NR3C1 (0.56)
SCHEMBL764283 0.80 ALDH1A1 (0.46) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL12592363 0.78 ACP1 (0.48) MEN1KMT2AMAOBLMNASMN1; SMN2
SCHEMBL12592365 0.78 ACP1 (0.48) MEN1KMT2AMAOBLMNASMN1; SMN2
SCHEMBL12592307 0.78 ACP1 (0.48) MEN1KMT2AMAOBLMNASMN1; SMN2
SCHEMBL753714 0.78 OPRM1 (0.44) KMT2AP2RX7ALDH1A1
SCHEMBL12592350 0.76 CYP3A4 (0.53) LMNASMN1; SMN2MAPTCYP3A4HIF1A
SCHEMBL765493 0.76 NR3C1 (0.39)
SCHEMBL751911 0.74 RORC (0.43) KMT2ALMNAMAPTALDH1A1
SCHEMBL12891545 0.74 GRM4 (0.41) MAPK1MEN1KMT2AP2RY12MAOB

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 8 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
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
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 MAPK1 1128/4885MEN1 3721/4885KMT2A 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.