SCHEMBL2161116

SCHEMBL2161116

CS(=O)(=O)Nc1cccc2cc[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 4/20 1.00
▸ PGR P06401 4/20 1.00
▸ NR3C2 P08235 4/20 1.00
▸ AR P10275 4/20 1.00
▸ KEAP1 Q14145 3/20 0.54
▸ GLO1 Q04760 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ NFE2L2 Q16236 1/20 0.47
▸ PTPN11 Q06124 1/20 0.44
▸ ACLY P53396 1/20 0.44
▸ MMP2 P08253 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ AHR P35869 1/20 0.43
▸ BCHE P06276 2/20 0.42
▸ PARP14 Q460N5 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2367383 0.79 NR3C1 (0.65) NR3C1PGRNR3C2ARGLO1
SCHEMBL2367682 0.79 NR3C1 (0.64) NR3C1PGRNR3C2ARKEAP1
SCHEMBL593678 0.77 NR3C1 (0.62) NR3C1PGRNR3C2ARKEAP1
SCHEMBL13085560 0.76 NR3C1 (0.61) NR3C1PGRNR3C2ARKEAP1
SCHEMBL1557812 0.76 NR3C1 (0.60) NR3C1PGRNR3C2ARKEAP1
SCHEMBL1984869 0.75 CA1 (0.60) NR3C1PGRNR3C2ARACLY
SCHEMBL2367735 0.75 NR3C1 (0.60) NR3C1PGRNR3C2ARHTT
SCHEMBL2403697 0.75 TUBB4A (0.61) NR3C1PGRNR3C2ARKEAP1
SCHEMBL10601342 0.75 NR3C1 (0.59) NR3C1PGRNR3C2ARPTPN11
SCHEMBL21779263 0.75 NR3C1 (0.60) NR3C1PGRNR3C2ARKEAP1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723105-B1 BICYCLIC SUBSTITUTED INDOLE-DERIVATIVE STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2013-05-15 — — EP disclosed
US-20110183928-A1 3-Cyanoalkyl- and 3-hydroxyalkylindoles and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-28 — — US disclosed
US-20110183928-A1 3-Cyanoalkyl- and 3-hydroxyalkylindoles and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-28 — — US disclosed
US-20110183928-A1 3-Cyanoalkyl- and 3-hydroxyalkylindoles and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-28 — — US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 — — US disclosed
US-7728150-B2 Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2010-06-01 — — US disclosed
US-7728150-B2 Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2010-06-01 — — US disclosed
US-7728150-B2 Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2010-06-01 — — US disclosed
WO-2009156091-A1 3-CYANOALKYL- AND 3-HYDROXYALKYLINDOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-30 — — WO disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 — — EP disclosed
CN-1926104-A Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators LILLY CO ELI (US) 2007-03-07 — — CN disclosed
EP-1723105-A1 BICYCLIC SUBSTITUTED INDOLE-DERIVATIVE STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-11-22 — — EP disclosed
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors ELI LILLY AND COMPANY (US) 2006-10-19 — — US disclosed
EP-1597254-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS Eli Lilly and Company (US) 2005-11-23 — — EP disclosed
WO-2005092854-A1 BICYCLIC SUBSTITUTED INDOLE-DERIVATIVE STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-06 — — WO disclosed
WO-2005092854-A1 BICYCLIC SUBSTITUTED INDOLE-DERIVATIVE STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-06 — — WO disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 — — WO disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 — — WO disclosed
EP-0227823-B1 COLOR TRANSFER PHOTOGRAPHIC PROCESSES AND PRODUCTS POLAROID CORPORATION (US) 1989-03-22 — — EP disclosed
US-4615966-A Color transfer photographic processes and products with indole phthalein filter dyes POLAROID CORPORATION (US) 1986-10-07 — — 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 (3 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-20110183928-A1 3-Cyanoalkyl- and 3-hydroxyalkylindoles and use thereof HTR3C, HTR3A, ADRB3 NR3C1 2099/4885PGR 4721/4885NR3C2 735/4885
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors NR3C2, NR5A1, MC2R NR3C1 4/4885PGR 148/4885NR3C2 1/4885
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 NR3C1 1/4885PGR 325/4885NR3C2 2/4885

“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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