SCHEMBL2900545

SCHEMBL2900545

Cc1nc(NC(=O)C(C)(C)C(c2ccc(F)cc2)c2ccc(F)cc2)sc1C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 15/20 0.48
SLC27A1 Q6PCB7 1/20 0.47
FFAR2 O15552 1/20 0.46
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
PGR P06401 3/20 0.44
AR P10275 1/20 0.44

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
SCHEMBL2895656 0.89 NR3C1 (0.56) NR3C1FFAR2NPC1PKMRAB9A
SCHEMBL2898747 0.85 NR3C1 (0.58) NR3C1FFAR2NPC1PKMRAB9A
SCHEMBL12592740 0.84 NR3C1 (0.64) NR3C1NPC1PKMRAB9APGR
SCHEMBL2899746 0.84 NPC1 (0.51) NR3C1NPC1PKMRAB9APGR
SCHEMBL2901202 0.82 SMN1; SMN2 (0.64) NPC1PKMRAB9A
SCHEMBL2898877 0.82 NR3C1 (0.66) NR3C1NPC1PKMRAB9APGR
SCHEMBL1362869 0.81 NR3C1 (0.79) NR3C1PGR
SCHEMBL2896424 0.80 NR3C1 (0.66) NR3C1FFAR2NPC1RAB9APGR
SCHEMBL2897909 0.80 NR3C1 (0.66) NR3C1NPC1RAB9APGRAR
SCHEMBL2893952 0.80 RAB9A (0.59) NR3C1SLC27A1FFAR2NPC1RAB9A

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 NR3C1 10/4885SLC27A1 2725/4885FFAR2 285/4885

“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.