SCHEMBL2899232

SCHEMBL2899232

CC(C)(C(=O)O)C(c1ccccc1)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
NPSR1 Q6W5P4 3/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.53
ESR1 P03372 1/20 0.53
NR4A1 P22736 1/20 0.53
PTK2B Q14289 1/20 0.53
NPC1 O15118 7/20 0.50
ALDH1A1 P00352 5/20 0.50
CNR2 P34972 2/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
RAB9A P51151 5/20 0.49
TP53 P04637 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
STAT1 P42224 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL12592339 0.99 MAPT (0.55) MAPTNPSR1KMT2AUSP2ESR1
SCHEMBL12592365 0.87 ACP1 (0.48) MAPTKMT2ANPC1ALDH1A1SMN1; SMN2
SCHEMBL12592307 0.87 ACP1 (0.48) MAPTKMT2ANPC1ALDH1A1SMN1; SMN2
SCHEMBL12592363 0.87 ACP1 (0.48) MAPTKMT2ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2895526 0.87 MAPT (0.52) MAPTNPSR1KMT2AUSP2ESR1
SCHEMBL12592344 0.85 RORC (0.46) MAPTNPSR1KMT2AUSP2ESR1
SCHEMBL12592341 0.83 KMT2A (0.40) MAPTNPSR1KMT2AUSP2ESR1
SCHEMBL10331381 0.82 CNR2 (0.43) MAPTNPSR1KMT2ANPC1ALDH1A1
SCHEMBL12647929 0.81 GPR119 (0.56) MAPTNPSR1KMT2AESR1ALDH1A1
SCHEMBL764974 0.80 ATM (0.41) MAPTKMT2ANPC1ALDH1A1CNR2

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
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
EP-2089355-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF- KAPPA B ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-08-19 EP disclosed
WO-2008057862-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-ϰB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
WO-2008057862-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-ϰB 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-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKB2, NFKBIA MAPT 1222/4885NPSR1 1566/4885KMT2A 2852/4885

“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.