SCHEMBL4625464

SCHEMBL4625464

COc1cccc(OC)c1Oc1ccc2cc(CC(NC(=O)OC(C)(C)C)C(=O)O)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.49
ITGA4 P13612 3/20 0.47
ITGB7 P26010 2/20 0.47
CTSS P25774 5/20 0.47
CTSK P43235 5/20 0.47
CTSB P07858 3/20 0.47
ACE P12821 2/20 0.46
ITGB1 P05556 3/20 0.42
ITGAV P06756 2/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
ITGB5 P18084 1/20 0.42
CTSL P07711 1/20 0.41
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 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
SCHEMBL3314540 0.93 CTSS (0.45) PTPN1ITGA4ITGB7CTSSCTSK
SCHEMBL4625765 0.92 PTPN1 (0.52) PTPN1ITGA4ITGB7CTSSCTSK
SCHEMBL4627526 0.88 ITGB1 (0.52) PTPN1ITGA4ITGB7CTSSCTSK
SCHEMBL4624438 0.88 PTPN1 (0.54) PTPN1ITGA4ITGB7CTSSCTSK
SCHEMBL4627618 0.86 PTPN1 (0.58) PTPN1CTSSCTSKCTSBACE
SCHEMBL3315927 0.85 ITGB1 (0.55) PTPN1ITGA4ITGB7CTSSCTSK
SCHEMBL4627669 0.85 ITGB1 (0.55) PTPN1ITGA4ITGB7CTSSCTSK
SCHEMBL3314031 0.85 ITGB1 (0.55) PTPN1ITGA4ITGB7CTSSCTSK
SCHEMBL3314491 0.85 CTSS (0.48) PTPN1ITGA4ITGB7CTSSCTSK
SCHEMBL4624246 0.83 ITGB1 (0.64) ITGA4ITGB7ITGB1ITGAVITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200095698-A1 ELECTROLYTIC TIN PLATING SOLUTION C. UYEMURA & CO., LTD. (JP) 2020-03-26 US claimed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP claimed
EP-1501801-B1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF VLA-4 DEPENDENT DISEASES UCB PHARMA SA (BE) 2008-01-23 EP claimed
EP-1432428-B1 Agent for colouring fibres containing keratin HENKEL KGAA (DE) 2006-11-02 EP claimed
US-20050262647-A1 Agent for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-12-01 US claimed
US-20200095698-A1 ELECTROLYTIC TIN PLATING SOLUTION C. UYEMURA & CO., LTD. (JP) 2020-03-26 US disclosed
US-20050262647-A1 Agent for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-12-01 US disclosed
WO-1998041520-A1 A PROCESS FOR THE PREPARATION OF FURAZIDIN ADAMED SP. Z O.O. (PL) 1998-09-24 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-20050262647-A1 Agent for dyeing fibers containing keratin KRT18, CKAP4, KRTCAP2 PTPN1 4644/4885ITGA4 2180/4885ITGB7 2264/4885

“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.