SCHEMBL2901927

SCHEMBL2901927

COc1cccc(-c2csc(NC(=O)C(C)(C)C(c3ccccc3)c3ccccc3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
ALDH1A1 P00352 3/20 0.67
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
HPGD P15428 1/20 0.65
HTT P42858 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
HSD17B10 Q99714 1/20 0.65
NR3C1 P04150 2/20 0.56
CSNK2A1 P68400 1/20 0.56
ROCK2 O75116 2/20 0.55
ROCK1 Q13464 2/20 0.55
ATP4A P20648 2/20 0.55
ATP4B P51164 2/20 0.55
SIRT5 Q9NXA8 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
MAPT P10636 2/20 0.52
THRB P10828 1/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL12592604 0.95 ALDH1A1 (0.60) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2901295 0.92 MEN1 (0.56) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL12592629 0.90 NR3C1 (0.66) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2893013 0.89 NR3C1 (0.64) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2899826 0.87 NR3C1 (0.61) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2901438 0.87 NR3C1 (0.60) ALDH1A1RAB9ASMN1; SMN2NR3C1ROCK2
SCHEMBL2898070 0.87 NR3C1 (0.53) MEN1KMT2AALDH1A1HTTNR3C1
SCHEMBL2901337 0.86 ROCK2 (0.53) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL2899850 0.86 ABL1 (0.64) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL2898765 0.85 NR3C1 (0.51) MEN1KMT2AALDH1A1NPC1RAB9A

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 MEN1 3339/4885KMT2A 2852/4885ALDH1A1 4179/4885

“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.