SCHEMBL2901509

SCHEMBL2901509

COc1ccccc1C(c1ccccc1)C(C)(C)C(=O)Nc1nc(C)c(C)s1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.53
▸ RAB9A P51151 6/20 0.53
▸ NR3C1 P04150 9/20 0.48
▸ PKM P14618 1/20 0.47
▸ MAPT P10636 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CFTR P13569 1/20 0.45
▸ PGR P06401 2/20 0.43
▸ AR P10275 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL2898877 0.86 NR3C1 (0.66) NPC1RAB9ANR3C1PKMPGR
SCHEMBL2899063 0.85 SMN1; SMN2 (0.61) NPC1RAB9APKMMAPTSMN1; SMN2
SCHEMBL2901390 0.84 NPC1 (0.56) NPC1RAB9ANR3C1PKMMAPT
SCHEMBL2897907 0.83 NR3C1 (0.54) NPC1RAB9ANR3C1PKMPGR
SCHEMBL2898948 0.83 NR3C1 (0.54) NPC1RAB9ANR3C1SMN1; SMN2KMT2A
SCHEMBL2895543 0.83 NR3C1 (0.54) NPC1RAB9ANR3C1MAPTSMN1; SMN2
SCHEMBL12592740 0.82 NR3C1 (0.64) NPC1RAB9ANR3C1PKMMEN1
SCHEMBL2898747 0.81 NR3C1 (0.58) NPC1RAB9ANR3C1PKMMAPT
SCHEMBL2898821 0.80 CSNK1D (0.59) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL2893201 0.80 MAPK1 (0.59) NPC1RAB9ANR3C1SMN1; SMN2MEN1

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 NPC1 1595/4885RAB9A 2635/4885NR3C1 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.

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