SCHEMBL2901073

SCHEMBL2901073

CCOC(=O)c1sc(NC(=O)C(C)(C)C(c2ccccc2)c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
P2RY1 P47900 2/20 0.50
NR3C1 P04150 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
DHODH Q02127 5/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL2896326 0.88 MEN1 (0.66) MEN1KMT2ASMN1; SMN2CYP2C9NPC1
SCHEMBL2900216 0.87 MEN1 (0.57) MEN1KMT2ASMN1; SMN2CYP2C9DHODH
SCHEMBL2892549 0.85 MEN1 (0.68) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL2893421 0.83 MEN1 (0.60) MEN1KMT2ASMN1; SMN2NR3C1CYP2C9
SCHEMBL2900944 0.82 NPC1 (0.60) MEN1KMT2ASMN1; SMN2NR3C1CYP2C9
SCHEMBL9750590 0.82 P2RY1 (0.52) MEN1KMT2ASMN1; SMN2P2RY1CYP1A2
SCHEMBL2893538 0.81 MEN1 (0.57) MEN1KMT2ASMN1; SMN2CYP2C9NPC1
SCHEMBL7229694 0.80 ALDH1A1 (0.55) MEN1KMT2ASMN1; SMN2P2RY1CYP1A2
SCHEMBL2896324 0.80 MEN1 (0.56) MEN1KMT2ASMN1; SMN2NR3C1DHODH
SCHEMBL2901202 0.80 SMN1; SMN2 (0.64) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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 2852/4885SMN1; SMN2 3477/4885

“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.