SCHEMBL3855937

SCHEMBL3855937

COCCCc1cccc(C(N)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.52
CYP4A11 Q02928 3/20 0.52
PARP1 P09874 6/20 0.50
LOXL2 Q9Y4K0 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
LMNA P02545 1/20 0.45
FOLH1 Q04609 1/20 0.44
MEP1B Q16820 1/20 0.43
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
IDH1 O75874 1/20 0.43
F10 P00742 1/20 0.42

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
SCHEMBL3859683 0.90 PARP1 (0.53) CYP4F2CYP4A11PARP1LOXL2LMNA
SCHEMBL5194309 0.82 SPHK2 (0.52) CYP4F2CYP4A11PARP1FOLH1MEP1B
SCHEMBL10669113 0.81 SPHK2 (0.57) CYP4F2CYP4A11PARP1SPHK2SPHK1
SCHEMBL662273 0.81 CYP4F2 (0.74) CYP4F2CYP4A11LOXL2MEP1B
SCHEMBL7300545 0.80 PARP1 (0.48) CYP4F2CYP4A11PARP1LOXL2FOLH1
SCHEMBL2824632 0.80 PARP1 (0.56) CYP4F2CYP4A11PARP1LOXL2LMNA
SCHEMBL28065789 0.80 PDE4A (0.49) CYP4F2CYP4A11PARP1PDE4APDE4B
SCHEMBL14629791 0.80 CYP4F2 (0.60) CYP4F2CYP4A11PARP1FOLH1MEP1B
SCHEMBL28241905 0.79 SPHK2 (0.60) CYP4F2CYP4A11SPHK2SPHK1
SCHEMBL9356792 0.79 SPHK2 (0.60) CYP4F2CYP4A11SPHK2SPHK1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544808-B2 Tricyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-09 US claimed
EP-1703797-A4 TRICYCLIC MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP claimed
US-20070270453-A1 TRICYCLIC MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2007-11-22 US claimed
EP-1534273-A4 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD BRISTOL MYERS SQUIBB CO (US) 2007-08-22 EP claimed
US-7253283-B2 Tricyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-07 US claimed
EP-1703797-A2 TRICYCLIC MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-κB ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2006-09-27 EP claimed
US-6995181-B2 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB CO. (US) 2006-02-07 US claimed
US-20050187242-A1 Tricyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2005-08-25 US claimed
WO-2005072132-A2 TRICYCLIC MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-κB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-11 WO claimed
US-20050171136-A1 Modulators of the glucocorticoid receptor and method VACCARO WAYNE (US) 2005-08-04 US claimed
EP-1534273-A2 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD Bristol-Myers Squibb Company (US) 2005-06-01 EP claimed
US-20040132758-A1 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB COMPANY 2004-07-08 US claimed
WO-2004009017-A2 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-29 WO claimed
US-7544808-B2 Tricyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-09 US disclosed
US-20070270453-A1 TRICYCLIC MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2007-11-22 US disclosed
EP-1534273-A4 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD BRISTOL MYERS SQUIBB CO (US) 2007-08-22 EP disclosed
US-20050171136-A1 Modulators of the glucocorticoid receptor and method VACCARO WAYNE (US) 2005-08-04 US disclosed
EP-1534273-A2 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD Bristol-Myers Squibb Company (US) 2005-06-01 EP disclosed
US-20040132758-A1 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB COMPANY 2004-07-08 US disclosed
WO-2004009017-A2 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-29 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 (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-20070270453-A1 TRICYCLIC MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKBIA, NFKB1 CYP4F2 1337/4885CYP4A11 111/4885PARP1 1547/4885
US-20050187242-A1 Tricyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof NFRKB, NFKBIA, NFKB1 CYP4F2 1337/4885CYP4A11 111/4885PARP1 1547/4885
US-20040132758-A1 Modulators of the glucocorticoid receptor and method NR3C1, NR3C2, MC2R CYP4F2 689/4885CYP4A11 234/4885PARP1 3430/4885
US-20050171136-A1 Modulators of the glucocorticoid receptor and method NR3C1, MC2R, NR3C2 CYP4F2 474/4885CYP4A11 181/4885PARP1 4705/4885

“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.