SCHEMBL3789155

SCHEMBL3789155

O=S(=O)(O)c1cccc2cc[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.53
▸ PGR P06401 1/20 0.53
▸ NR3C2 P08235 1/20 0.53
▸ AR P10275 1/20 0.53
▸ KEAP1 Q14145 1/20 0.50
▸ PDPK1 O15530 1/20 0.49
▸ AHR P35869 1/20 0.47
▸ ACLY P53396 1/20 0.44
▸ BACE1 P56817 1/20 0.42
▸ BCHE P06276 4/20 0.42
▸ GRM5 P41594 1/20 0.40
▸ TTR P02766 2/20 0.39
▸ FABP4 P15090 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ NAMPT P43490 2/20 0.39
▸ NR4A1 P22736 1/20 0.38
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37

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
Hydrochloric Acid SCHEMBL27765603 0.98 NR3C1 (0.51) NR3C1PGRNR3C2ARKEAP1
SCHEMBL28322905 0.98 NR3C1 (0.51) NR3C1PGRNR3C2ARKEAP1
SCHEMBL30136554 0.81 AR (0.53) NR3C1PGRNR3C2ARKEAP1
SCHEMBL1018276 0.81 AR (0.53) NR3C1PGRNR3C2ARKEAP1
SCHEMBL30136569 0.81 NR3C1 (0.53) NR3C1PGRNR3C2ARKEAP1
SCHEMBL593678 0.81 NR3C1 (0.62) NR3C1PGRNR3C2ARKEAP1
Hydrochloric Acid SCHEMBL26614912 0.79 AR (0.51) NR3C1PGRNR3C2ARKEAP1
Sulfuric Acid SCHEMBL23540701 0.77 KEAP1 (0.50) NR3C1PGRNR3C2ARKEAP1
SCHEMBL3792302 0.77 NR3C1 (0.53) NR3C1PGRNR3C2ARKEAP1
SCHEMBL4485961 0.77 NR3C1 (0.57) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270748-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2024-08-15 — — US claimed
CN-107207433-A New organic compound, the near infrared fluorescent contrast agent containing the compound and the method for preparing nano particle contrast agent 车医科学大学校产学协力团 2017-09-26 — — CN claimed
CN-107207433-A New organic compound, the near infrared fluorescent contrast agent containing the compound and the method for preparing nano particle contrast agent 车医科学大学校产学协力团 2017-09-26 — — CN disclosed
CN-101001837-B Indole derivatives comprising an acetylene group as PPAR activators HOFFMANN LA ROCHE 2012-11-07 — — CN disclosed
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 — — US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 — — US disclosed
US-7585981-B2 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYON CO., LTD. (JP) 2009-09-08 — — US disclosed
CN-101466728-A HCV inhibitors comprising beta amino acids and their uses NOVARTIS AG (CH) 2009-06-24 — — CN disclosed
CN-101421292-A HCV inhibitors NOVARTIS AG (CH) 2009-04-29 — — CN disclosed
EP-2007787-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES Novartis AG (CH) 2008-12-31 — — EP disclosed
EP-2007788-A2 HCV INHIBITORS Novartis AG (CH) 2008-12-31 — — EP disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 — — US disclosed
WO-2007121125-A2 HCV INHIBITORS NOVARTIS AG (CH) 2007-10-25 — — WO disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 — — WO disclosed
CN-101001837-A Indole derivatives comprising an acetylene group as PPAR activators HOFFMANN LA ROCHE (CH) 2007-07-18 — — CN disclosed
US-7115751-B2 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYON CO., LTD. (JP) 2006-10-03 — — US disclosed
US-20060211793-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYONE CO., LTD. (JP) 2006-09-21 — — US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 — — US disclosed
US-20040019097-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2004-01-29 — — US disclosed
EP-1327632-A1 METHOD FOR PRODUCING TRIMER OF INDOLE DERIVATIVE, AND TRIMER OF INDOLE DERIVATIVE AND LAMINATED STRUCTURE THEREOF Mitsubishi Rayon Co., Ltd. (JP) 2003-07-16 — — EP 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 (4 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-20240270748-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 NR3C1 2584/4885PGR 2675/4885NR3C2 2851/4885
US-20060211793-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof IDO1, IDO2, INMT NR3C1 2378/4885PGR 2905/4885NR3C2 1851/4885
US-20040019097-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof IDO1, IDO2, INMT NR3C1 2535/4885PGR 2769/4885NR3C2 2023/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 NR3C1 788/4885PGR 1679/4885NR3C2 493/4885

“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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