Sugi Predict

Sugi Predict / Compounds / SCHEMBL453441

SCHEMBL453441

SCHEMBL453441

CCOc1cc(Cl)cc(C=O)c1O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 11/20 0.68
▸ PTK6 Q13882 1/20 0.52
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ HPGD P15428 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 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
SCHEMBL1527149 0.81 KDM4E (0.61) ERN1LMNAKDM4EHPGDALDH1A1
SCHEMBL27548080 0.81 ERN1 (0.57) ERN1LMNAKDM4EALDH1A1MAPT
SCHEMBL31499448 0.81 ERN1 (0.57) ERN1LMNAKDM4EALDH1A1MAPT
SCHEMBL469429 0.81 ERN1 (0.56) ERN1PTK6KDM4EALDH1A1
SCHEMBL30933727 0.81 ERN1 (1.00) ERN1LMNAKDM4EALDH1A1MAPT
SCHEMBL455724 0.81 ERN1 (1.00) ERN1LMNAKDM4EALDH1A1MAPT
SCHEMBL16055174 0.80 ERN1 (0.53) ERN1LMNAKDM4EALDH1A1MAPT
SCHEMBL1620544 0.80 ERN1 (0.68) ERN1PTK6LMNAKDM4EHPGD
SCHEMBL8160732 0.79 ERN1 (0.50) ERN1LMNAKDM4EALDH1A1MAPT
SCHEMBL8198170 0.78 ERN1 (0.65) ERN1LMNAKDM4EHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249165-A1 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2010-09-30 — — US claimed
EP-2164478-A2 PDZ DOMAIN MODULATORS University of Copenhagen (DK) 2010-03-24 — — EP claimed
WO-2008148747-A2 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2008-12-11 — — WO claimed
US-11266648-B2 Substituted chromeno[2,3-d]pyrimidines as NF-κB inhibitors ImmuneTarget, Inc. (US) 2022-03-08 — — US disclosed
US-11083729-B2 Methods of treating cancer with small molecule NF-κB inhibitors ImmuneTarget, Inc. (US) 2021-08-10 — — US disclosed
US-11008345-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2021-05-18 — — US disclosed
US-11008345-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2021-05-18 — — US disclosed
CN-108610356-B Benzoxaborole derivatives for the treatment of bacterial infections 阿纳科制药公司 2021-02-26 — — CN disclosed
US-20200345739-A1 SMALL MOLECULE NF-kB INHIBITORS ImmuneTarget, Inc. 2020-11-05 — — US disclosed
US-10660894-B2 Small molecule NF-κB inhibitors ImmuneTarget, Inc. (US) 2020-05-26 — — US disclosed
EP-3645007-A1 METHODS OF TREATING CANCER WITH SMALL MOLECULE NF-KB INHIBITORS Immunetarget, Inc. (US) 2020-05-06 — — EP disclosed
EP-2613788-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2013-07-17 — — EP disclosed
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-05-10 — — US disclosed
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-05-10 — — US disclosed
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-05-10 — — US disclosed
WO-2012033858-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-03-15 — — WO disclosed
WO-2012033858-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-03-15 — — WO disclosed
US-20100249165-A1 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2010-09-30 — — US disclosed
EP-2164478-A2 PDZ DOMAIN MODULATORS University of Copenhagen (DK) 2010-03-24 — — EP disclosed
WO-2008148747-A2 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2008-12-11 — — 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 (7 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-11083729-B2 Methods of treating cancer with small molecule NF-κB inhibitors NFKBIA, IKBKB, RELA ERN1 850/4885PTK6 1284/4885LMNA 404/4885
US-10660894-B2 Small molecule NF-κB inhibitors NFKBIA, RELA, NFKB2 ERN1 778/4885PTK6 1074/4885LMNA 1186/4885
US-11008345-B2 Boron-containing small molecules BCL6B, BTD, BROX ERN1 3162/4885PTK6 1110/4885LMNA 3088/4885
US-20100249165-A1 PDZ DOMAIN MODULATORS PDLIM5, PSD, PDCD6IP ERN1 2349/4885PTK6 2604/4885LMNA 4607/4885
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX ERN1 3162/4885PTK6 1110/4885LMNA 3088/4885
US-20200345739-A1 SMALL MOLECULE NF-kB INHIBITORS NFKBIA, NFKB2, IKBKB ERN1 827/4885PTK6 567/4885LMNA 762/4885
US-11266648-B2 Substituted chromeno[2,3-d]pyrimidines as NF-κB inhibitors NFKBIA, IKBKB, RELA ERN1 1323/4885PTK6 1275/4885LMNA 1033/4885

“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.