Sugi Predict

Sugi Predict / Compounds / SCHEMBL2899239

SCHEMBL2899239

SCHEMBL2899239

CC(C)(C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1)C(c1ccccc1)c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ NR3C1 P04150 12/20 0.58
▸ AR P10275 2/20 0.58
▸ PGR P06401 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ PTGES O14684 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ VCP P55072 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ GSTO1 P78417 1/20 0.53
▸ CSNK2A1 P68400 2/20 0.48
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ CSNK2A2 P19784 1/20 0.48

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
SCHEMBL12592719 0.92 RAB9A (0.56) RAB9ANPC1NR3C1ARPGR
SCHEMBL2899826 0.90 NR3C1 (0.61) RAB9ANPC1NR3C1MEN1ALDH1A1
SCHEMBL2900271 0.90 NR3C1 (0.64) NR3C1ARPGRMAPTVCP
SCHEMBL2901336 0.90 RAB9A (0.55) RAB9ANPC1NR3C1ARPGR
SCHEMBL2901629 0.89 RAB9A (0.59) RAB9ANPC1NR3C1ARPGR
SCHEMBL2896407 0.89 NR3C1 (0.62) RAB9ANR3C1ARPGRKDM4E
SCHEMBL2901295 0.87 MEN1 (0.56) RAB9ANPC1NR3C1KDM4EMEN1
SCHEMBL2901438 0.84 NR3C1 (0.60) RAB9ANR3C1ARPGRALDH1A1
SCHEMBL2899220 0.83 MEN1 (0.56) RAB9ANPC1NR3C1ARPGR
SCHEMBL2898015 0.83 ABL1 (0.56) NR3C1ARPGRMEN1ALDH1A1

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 RAB9A 2635/4885NPC1 1595/4885NR3C1 10/4885

“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.