Sugi Predict

Sugi Predict / Compounds / SCHEMBL6159645

SCHEMBL6159645

SCHEMBL6159645

O=C(NCc1ccncc1)[C@@H]1[C@@H](S)CC(=O)N1Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.50
▸ CYP3A4 P08684 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ MMP13 P45452 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ P2RX7 Q99572 5/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ KLKB1 P03952 1/20 0.41
▸ KLK1 P06870 1/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ KCNA5 P22460 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ SCN5A Q14524 1/20 0.40
▸ SCN9A Q15858 1/20 0.40

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
SCHEMBL6158306 1.00 MAPK14 (0.50) MAPK14CYP3A4LMNAHTTMMP13
SCHEMBL6158295 1.00 MAPK14 (0.50) MAPK14CYP3A4LMNAHTTMMP13
SCHEMBL6158898 0.84 MAPK14 (0.46) MAPK14CYP3A4LMNAHTTMMP13
SCHEMBL6158893 0.84 MAPK14 (0.46) MAPK14CYP3A4LMNAHTTMMP13
SCHEMBL6158890 0.84 MAPK14 (0.46) MAPK14CYP3A4LMNAHTTMMP13
SCHEMBL6158494 0.84 HCRTR1 (0.42) HDAC1HDAC6HRH3SCN9A
SCHEMBL6158495 0.84 HCRTR1 (0.42) HDAC1HDAC6HRH3SCN9A
SCHEMBL6158489 0.84 HCRTR1 (0.42) HDAC1HDAC6HRH3SCN9A
SCHEMBL6160246 0.79 HCRTR1 (0.44) HTTMMP13HRH3CYP2C9CYP2C19
SCHEMBL6160249 0.79 HCRTR1 (0.44) HTTMMP13HRH3CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599435-A1 REACTION PRODUCTS OF 2-PROPYLHEPTANOL WITH 1-HALOGEN-2,3-EPOXYPROPANES AND 1-HYDROXY-2,3-EPOXYPROPANE BASF AKTIENGESELLSCHAFT (DE) 2005-11-30 — — EP disclosed
US-6953789-B2 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-10-11 — — US disclosed
EP-1501775-A1 ALKOXYLATE MIXTURES AND DETERGENTS CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2005-02-02 — — EP disclosed
US-20040157894-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 — — US disclosed
WO-2004065373-A1 COSURFACTANTS COMPRISING UNSATURATED HETEROCYCLIC HEAD GROUPS BASF AKTIENGESELLSCHAFT (DE) 2004-08-05 — — WO disclosed
EP-1434752-A2 METHOD FOR PRODUCING ALKYLARYL COMPOUNDS AND SULFONATES THEREOF BASF AKTIENGESELLSCHAFT (DE) 2004-07-07 — — EP disclosed
WO-2004031111-A1 REACTION PRODUCTS OF 2-PROPYLHEPTANOL WITH 1-HALOGEN-2,3-EPOXYPROPANES AND 1-HYDROXY-2,3-EPOXYPROPANE BASF AKTIENGESELLSCHAFT (DE) 2004-04-15 — — WO disclosed
US-6699881-B2 MATRIX METALLOPROTEASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 — — US disclosed
WO-2003091190-A1 ALKOXYLATE MIXTURES AND DETERGENTS CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2003-11-06 — — WO disclosed
EP-1343742-A1 METHOD FOR THE PRODUCTION OF ALKYL ARYL SULPHONATES BASF AKTIENGESELLSCHAFT (DE) 2003-09-17 — — EP disclosed
EP-0888436-B1 SOLID COMPOSITION OF HETEROCYCLIC COMPOUNDS AND/OR OXIME ESTERS AND INERT POROUS CARRIER MATERIALS BASF AG (DE) 2000-06-21 — — EP disclosed
EP-0946498-A2 METHOD FOR SEPARATING GLYCERIN FROM REACTION MIXTURES CONTAINING GLYCERIN AND FATTY ACID AMIDES, ALKOXYLATED AMIDES OBTAINED THEREFROM AND THE USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1999-10-06 — — EP disclosed
EP-0934385-A1 USE OF WATER-SOLUBLE OR WATER-DISPERSIBLE CROSS-LINKED NITROGENATED COMPOUNDS IN WASHING AND CLEANING AGENTS BASF AKTIENGESELLSCHAFT (DE) 1999-08-11 — — EP disclosed
EP-0888436-A1 SOLID COMPOSITION OF HETEROCYCLIC COMPOUNDS AND/OR OXIME ESTERS AND INERT POROUS CARRIER MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 — — EP disclosed
WO-1998024758-A2 METHOD FOR SEPARATING GLYCERIN FROM REACTION MIXTURES CONTAINING GLYCERIN AND FATTY ACID AMIDES, ALKOXYLATED AMIDES OBTAINED THEREFROM AND THE USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1998-06-11 — — WO disclosed
WO-1998017764-A1 USE OF WATER-SOLUBLE OR WATER-DISPERSIBLE CROSS-LINKED NITROGENATED COMPOUNDS IN WASHING AND CLEANING AGENTS BASF AKTIENGESELLSCHAFT (DE) 1998-04-30 — — WO disclosed
WO-1997033964-A1 SOLID COMPOSITION OF HETEROCYCLIC COMPOUNDS AND/OR OXIME ESTERS AND INERT POROUS CARRIER MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1997-09-18 — — WO disclosed
EP-0695289-A1 HYDROXAMIC ACIDS AND HYDROXAMIC ACID ETHERS AND THEIR USE AS COMPLEXING AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-07 — — EP disclosed
WO-1994024096-A1 HYDROXAMIC ACIDS AND HYDROXAMIC ACID ETHERS AND THEIR USE AS COMPLEXING AGENTS BASF AKTIENGESELLSCHAFT (DE) 1994-10-27 — — WO disclosed
WO-1993008254-A1 GRANULAR BLEACH-ACTIVATOR COMPOSITION BASF AKTIENGESELLSCHAFT (DE) 1993-04-29 — — 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-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 MAPK14 4397/4885CYP3A4 195/4885LMNA 4464/4885

“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.