Sugi Predict

Sugi Predict / Compounds / SCHEMBL2901557

SCHEMBL2901557

SCHEMBL2901557

COc1ccc(C(c2ccc(OC)cc2)C(C)(C)C(=O)Nc2nc(C(C)(C)C)cs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.61
▸ NR3C1 P04150 7/20 0.60
▸ MAPK1 P28482 3/20 0.50
▸ FFAR2 O15552 1/20 0.49
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ TAS1R2 Q8TE23 1/20 0.47
▸ LMNA P02545 3/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46

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
SCHEMBL2892407 0.96 NR3C1 (0.67) KMT2ANR3C1MAPK1FFAR2NPC1
SCHEMBL2898724 0.87 NR3C1 (0.61) KMT2ANR3C1FFAR2NPC1RAB9A
SCHEMBL12592698 0.87 NR3C1 (0.58) KMT2ANR3C1MAPK1FFAR2NPC1
SCHEMBL2900694 0.86 NR3C1 (0.56) KMT2ANR3C1MAPK1NPC1RAB9A
SCHEMBL2893355 0.86 NR3C1 (0.52) KMT2ANR3C1MAPK1FFAR2NPC1
SCHEMBL2898784 0.85 NR3C1 (0.62) KMT2ANR3C1MAPK1FFAR2NPC1
SCHEMBL12592849 0.83 NR3C1 (0.69) NR3C1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12592850 0.83 NR3C1 (0.69) NR3C1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2898760 0.83 NR3C1 (0.69) NR3C1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2901843 0.83 NR3C1 (0.65) KMT2ANR3C1MAPK1NPC1RAB9A

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-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

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 KMT2A 2852/4885NR3C1 10/4885MAPK1 255/4885

“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.