SCHEMBL2897909

SCHEMBL2897909

Cc1csc(NC(=O)C(C)(C)C(c2ccc(F)cc2)c2ccc(F)cc2)n1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 15/20 0.66
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
MAPT P10636 1/20 0.48
GRM5 P41594 1/20 0.47
GCK P35557 1/20 0.47
PGR P06401 3/20 0.46
AR P10275 1/20 0.46

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
SCHEMBL2895557 0.89 NR3C1 (0.59) NR3C1NPC1RAB9AMAPTPGR
SCHEMBL2899511 0.87 NR3C1 (0.63) NR3C1NPC1RAB9AMAPTPGR
SCHEMBL2893355 0.86 NR3C1 (0.52) NR3C1NPC1RAB9AMAPTPGR
SCHEMBL2898724 0.85 NR3C1 (0.61) NR3C1NPC1RAB9AMAPTPGR
SCHEMBL2891910 0.84 NR3C1 (0.67) NR3C1NPC1RAB9APGRAR
SCHEMBL2899840 0.84 NR3C1 (0.67) NR3C1NPC1RAB9APGRAR
SCHEMBL2896113 0.84 NR3C1 (0.67) NR3C1NPC1RAB9APGRAR
SCHEMBL2892074 0.84 NR3C1 (0.60) NR3C1NPC1RAB9APGRAR
SCHEMBL2899028 0.82 LMNA (0.57) NR3C1NPC1RAB9AMAPTPGR
SCHEMBL12592850 0.82 NR3C1 (0.69) NR3C1NPC1RAB9APGRAR

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 10/4885NPC1 1595/4885RAB9A 2635/4885

“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.