SCHEMBL2901518

SCHEMBL2901518

CCOC(=O)c1sc(NC(=O)C(C)(C)C(c2ccc(OC)cc2)c2ccc(OC)cc2)nc1C

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.65
ALDH1A1 P00352 5/20 0.65
NPC1 O15118 4/20 0.65
NPSR1 Q6W5P4 2/20 0.65
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 7/20 0.53
KDM4E B2RXH2 6/20 0.53
LMNA P02545 2/20 0.53
NR3C1 P04150 1/20 0.53
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
HSP90AA1 P07900 2/20 0.52
TSHR P16473 2/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 2/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL2900944 0.96 NPC1 (0.60) RXFP1ALDH1A1NPC1NPSR1MEN1
SCHEMBL2900246 0.91 ALDH1A1 (0.55) RXFP1ALDH1A1NPC1NPSR1MEN1
SCHEMBL2901202 0.90 SMN1; SMN2 (0.64) RXFP1ALDH1A1NPC1NPSR1MEN1
SCHEMBL2896326 0.89 MEN1 (0.66) ALDH1A1NPC1NPSR1MEN1KMT2A
SCHEMBL2896324 0.88 MEN1 (0.56) RXFP1ALDH1A1NPC1NPSR1MEN1
SCHEMBL2893421 0.87 MEN1 (0.60) ALDH1A1NPC1NPSR1MEN1KMT2A
SCHEMBL2898747 0.85 NR3C1 (0.58) RXFP1ALDH1A1NPC1NPSR1MEN1
SCHEMBL2900216 0.84 MEN1 (0.57) RXFP1ALDH1A1NPC1NPSR1MEN1
SCHEMBL2899063 0.84 SMN1; SMN2 (0.61) RXFP1ALDH1A1NPC1NPSR1MEN1
SCHEMBL2893538 0.82 MEN1 (0.57) ALDH1A1NPC1NPSR1MEN1KMT2A

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 RXFP1 2773/4885ALDH1A1 4179/4885NPC1 1595/4885

“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.