SCHEMBL2900024

SCHEMBL2900024

Cc1ccc(-c2nc(NC(=O)C(C)(C)C(c3ccccc3)c3ccccc3)sc2C)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TASP1 Q9H6P5 2/20 0.52
▸ NR3C1 P04150 14/20 0.48
▸ PGR P06401 2/20 0.48
▸ AR P10275 1/20 0.46
▸ XIAP P98170 1/20 0.45
▸ ALOX5 P09917 1/20 0.45
▸ SAE1 Q9UBE0 1/20 0.45
▸ ROCK2 O75116 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
SCHEMBL18499095 0.79 TASP1 (0.63) TASP1XIAPALOX5SAE1ROCK2
SCHEMBL12592740 0.76 NR3C1 (0.64) NR3C1PGRAR
SCHEMBL2898880 0.75 NR3C1 (0.53) NR3C1PGRAR
SCHEMBL2902185 0.74 ABL1 (0.63) NR3C1PGRARXIAP
SCHEMBL2899081 0.73 ACP1 (0.61) NR3C1PGRAR
SCHEMBL2899290 0.73 NR3C1 (0.52) NR3C1PGRAR
SCHEMBL2898877 0.73 NR3C1 (0.66) NR3C1PGRAR
SCHEMBL2899746 0.73 NPC1 (0.51) NR3C1PGRAR
SCHEMBL2895550 0.72 ACP1 (0.60) NR3C1PGRAR
SCHEMBL2901060 0.71 ACP1 (0.61) NR3C1PGRAR

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 TASP1 2648/4885NR3C1 10/4885PGR 2096/4885

“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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