SCHEMBL2902185

SCHEMBL2902185

Cc1cc(-c2csc(NC(=O)C(C)(C)C(c3ccccc3)c3ccccc3)n2)ccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.63
XIAP P98170 1/20 0.60
NR3C1 P04150 8/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PGR P06401 2/20 0.48
TRPA1 O75762 1/20 0.48
AR P10275 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL2901322 0.86 MEN1 (0.60) ABL1NR3C1MAPTSMN1; SMN2MEN1
SCHEMBL2899850 0.86 ABL1 (0.64) ABL1NR3C1LMNAMAPTSMN1; SMN2
SCHEMBL2900884 0.85 NR3C1 (0.56) NR3C1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL2901438 0.85 NR3C1 (0.60) NR3C1LMNAMAPTSMN1; SMN2PGR
SCHEMBL2898070 0.85 NR3C1 (0.53) ABL1NR3C1MAPTMEN1KMT2A
SCHEMBL2899220 0.84 MEN1 (0.56) ABL1NR3C1MEN1KMT2APGR
SCHEMBL2901492 0.82 GSTO1 (0.57) NR3C1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL2898966 0.82 LMNA (0.60) NR3C1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL2901337 0.82 ROCK2 (0.53) NR3C1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2899239 0.81 RAB9A (0.58) NR3C1MAPTMEN1KMT2APGR

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 ABL1 4089/4885XIAP 3897/4885NR3C1 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.