SCHEMBL2901202

SCHEMBL2901202

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.64
KMT2A Q03164 5/20 0.64
MEN1 O00255 4/20 0.64
NPC1 O15118 4/20 0.64
HPGD P15428 4/20 0.64
RAB9A P51151 4/20 0.64
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
ALDH1A1 P00352 9/20 0.62
KDM4E B2RXH2 5/20 0.62
LMNA P02545 3/20 0.61
PKM P14618 1/20 0.59
HTT P42858 2/20 0.52
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
TP53 P04637 1/20 0.50
HSP90AA1 P07900 1/20 0.50
TSHR P16473 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
SCHEMBL2900246 0.91 ALDH1A1 (0.55) SMN1; SMN2KMT2AMEN1NPC1HPGD
SCHEMBL2901518 0.90 RXFP1 (0.65) SMN1; SMN2KMT2AMEN1NPC1HPGD
SCHEMBL2896326 0.89 MEN1 (0.66) SMN1; SMN2KMT2AMEN1NPC1HPGD
SCHEMBL2893421 0.87 MEN1 (0.60) SMN1; SMN2KMT2AMEN1NPC1HPGD
SCHEMBL2900216 0.86 MEN1 (0.57) SMN1; SMN2KMT2AMEN1NPC1HPGD
SCHEMBL2900944 0.86 NPC1 (0.60) SMN1; SMN2KMT2AMEN1NPC1HPGD
SCHEMBL2899063 0.82 SMN1; SMN2 (0.61) SMN1; SMN2KMT2AMEN1NPC1HPGD
SCHEMBL2893538 0.82 MEN1 (0.57) SMN1; SMN2KMT2AMEN1NPC1HPGD
SCHEMBL2900545 0.82 NR3C1 (0.48) NPC1RAB9APKM
SCHEMBL2896324 0.82 MEN1 (0.56) SMN1; SMN2KMT2AMEN1NPC1HPGD

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 SMN1; SMN2 3477/4885KMT2A 2852/4885MEN1 3339/4885

“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.