SCHEMBL2896324

SCHEMBL2896324

CCOC(=O)c1sc(NC(=O)C(C)(C)C(c2ccccc2)c2cccc(OC)c2)nc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
KIFC1 Q9BW19 1/20 0.54
NPC1 O15118 4/20 0.52
ALDH1A1 P00352 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
RXFP1 Q9HBX9 2/20 0.52
HPGD P15428 3/20 0.52
KDM4E B2RXH2 2/20 0.52
RAB9A P51151 3/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.50
CSNK1D P48730 3/20 0.49
NR3C1 P04150 2/20 0.49
PKM P14618 1/20 0.49
KCNH2 Q12809 1/20 0.49

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 0.92 NPC1 (0.60) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2896326 0.92 MEN1 (0.66) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2893538 0.90 MEN1 (0.57) MEN1KMT2ASMN1; SMN2KIFC1NPC1
SCHEMBL2901518 0.88 RXFP1 (0.65) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2893421 0.87 MEN1 (0.60) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2897907 0.87 NR3C1 (0.54) NPC1RAB9ANR3C1PKM
SCHEMBL2899063 0.86 SMN1; SMN2 (0.61) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2900216 0.84 MEN1 (0.57) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2900246 0.83 ALDH1A1 (0.55) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2901202 0.82 SMN1; SMN2 (0.64) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1

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 2852/4885CRHBP 370/4885

“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.