SCHEMBL4113075

SCHEMBL4113075

C[C@H](N)COc1cccc2c1cnn2-c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 9/20 0.59
▸ CYP17A1 P05093 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ PGR P06401 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CCR1 P32246 8/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TP53 P04637 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
SCHEMBL5140930 1.00 NR3C1 (0.59) NR3C1CYP17A1CYP1A2PGRCYP3A4
SCHEMBL4114045 0.80 NR3C1 (0.54) NR3C1CYP17A1CYP1A2PGRCYP3A4
SCHEMBL4114024 0.79 NR3C1 (0.58) NR3C1CYP17A1CYP1A2PGRCYP3A4
SCHEMBL5137509 0.79 NR3C1 (0.58) NR3C1CYP17A1CYP1A2PGRCYP3A4
SCHEMBL4123716 0.79 CYP17A1 (0.55) NR3C1CYP17A1CYP1A2CCR1ALDH1A1
SCHEMBL441201 0.77 NR3C1 (0.46) NR3C1CYP17A1CYP1A2PGR
SCHEMBL4119522 0.75 NR3C1 (1.00) NR3C1PGRCYP3A4CYP2C9
SCHEMBL303982 0.74 CYP17A1 (0.56) NR3C1CYP17A1CYP1A2PGRCYP3A4
SCHEMBL27871112 0.73 CYP17A1 (0.50) NR3C1CYP17A1CYP1A2CCR1HPGD
SCHEMBL4106113 0.73 NR3C1 (0.74) NR3C1PGRCYP3A4CYP2C9CCR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124607-A1 Novel Bicyclic Sulfonamides for Use as Glucocorticoid Receptor Modulators in the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2009-05-14 — — US disclosed
EP-1940800-A1 NOVEL BICYCLIC SULFONAMIDES FOR USE AS GLUCOCORTICOID RECEPTOR MODULATORS IN THE TREATMENT OF INFLAMMATORY DISEASES Astra Zeneca AB (SE) 2008-07-09 — — EP disclosed
WO-2007046747-A1 NOVEL BICYCLIC SULFONAMIDES FOR USE AS GLUCOCORTICOID RECEPTOR MODULATORS IN THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2007-04-26 — — WO 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-20090124607-A1 Novel Bicyclic Sulfonamides for Use as Glucocorticoid Receptor Modulators in the Treatment of Inflammatory Diseases NR3C1, NR3C2, MC2R NR3C1 1/4885CYP17A1 151/4885CYP1A2 579/4885

“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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