SCHEMBL7358565

SCHEMBL7358565

[CH2]CCN(C(=O)OCc1ccccc1)C(N)=NC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.39
PAX8 Q06710 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AOC3 Q16853 5/20 0.37
PLAU P00749 1/20 0.36
LMNA P02545 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL6661417 0.90 CCR6 (0.41) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL989683 0.88 CCR6 (0.45) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL7355382 0.87 HTT (0.43) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL7359299 0.85 HTT (0.44) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL9228435 0.84 ALDH1A1 (0.41) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL7352897 0.84 HTT (0.43) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL8039587 0.84 CCR6 (0.42) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL570911 0.83 CCR6 (0.36) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL8029844 0.83 HTT (0.42) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL7242187 0.83 HTT (0.42) CCR6PAX8ALDH1A1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT REPUBLIC OF KOREA (RURAL DEVELOPMENT ADMINISTRATION) (KR) 2015-04-30 US claimed
EP-0435059-B1 Retroviral protease inhibitors HOECHST AG (DE) 1997-11-05 EP claimed
US-5663139-A VIRICIDE OLIGOPEPTIDES HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-02 US claimed
EP-0649426-A1 INHIBITORS OF RETROVIRAL PROTEASES HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-26 EP claimed
WO-1994000461-A1 INHIBITORS OF RETROVIRAL PROTEASES HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-06 WO claimed
EP-0435059-A1 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-03 EP claimed
EP-0428849-A2 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-29 EP claimed
US-5712417-A Inhibitors of retroviral proteases ABBOTT LABORATORIES (US) 1998-01-27 US disclosed
EP-0435059-B1 Retroviral protease inhibitors HOECHST AG (DE) 1997-11-05 EP disclosed
US-5663139-A VIRICIDE OLIGOPEPTIDES HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-02 US disclosed
US-5629431-A Inhibitors of retroviral proteases HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-13 US disclosed
EP-0649426-A1 INHIBITORS OF RETROVIRAL PROTEASES HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-26 EP disclosed
WO-1994000461-A1 INHIBITORS OF RETROVIRAL PROTEASES HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-06 WO disclosed
EP-0435059-A1 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-03 EP disclosed
EP-0428849-A2 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-29 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 (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-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT PEPD, DNPEP, DPP7 CCR6 3430/4885PAX8 2054/4885ALDH1A1 4580/4885

“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.