SCHEMBL2898966

SCHEMBL2898966

CC(C)(C(=O)Nc1nc(-c2ccc(F)cc2)cs1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.60
▸ NR3C1 P04150 6/20 0.56
▸ KMT2A Q03164 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ MAPK1 P28482 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ NPY5R Q15761 1/20 0.51
▸ ROCK2 O75116 3/20 0.51
▸ ROCK1 Q13464 3/20 0.51
▸ HDAC3 O15379 1/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51

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
SCHEMBL2899028 0.96 LMNA (0.57) LMNANR3C1KMT2AMEN1MAPK1
SCHEMBL2901438 0.92 NR3C1 (0.60) LMNANR3C1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2900884 0.90 NR3C1 (0.56) LMNANR3C1KMT2AMEN1MAPK1
SCHEMBL2901322 0.89 MEN1 (0.60) NR3C1KMT2AMEN1ALDH1A1MAPT
SCHEMBL2901629 0.89 RAB9A (0.59) LMNANR3C1KMT2AMEN1RAB9A
SCHEMBL2901337 0.88 ROCK2 (0.53) NR3C1KMT2AMEN1MAPK1ALDH1A1
SCHEMBL2899220 0.88 MEN1 (0.56) NR3C1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL2900271 0.87 NR3C1 (0.64) NR3C1MAPTROCK2ROCK1HDAC3
SCHEMBL2898047 0.86 HDAC3 (0.53) NR3C1ROCK2ROCK1HDAC3HDAC4
SCHEMBL2896407 0.85 NR3C1 (0.62) LMNANR3C1KMT2AMEN1ALDH1A1

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 LMNA 3747/4885NR3C1 10/4885KMT2A 2852/4885

“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.

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