SCHEMBL5751695

SCHEMBL5751695

CS(=O)(=O)CCc1nccn1CCCCc1ccc(OCc2coc(C=Cc3ccc(F)cc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 7/20 0.54
MINK1 Q8N4C8 1/20 0.54
FFAR1 O14842 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GSK3B P49841 1/20 0.32
BACE1 P56817 1/20 0.32
MGLL Q99685 2/20 0.31

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
SCHEMBL5751692 1.00 ERBB2 (0.54) ERBB2MINK1FFAR1MEN1KMT2A
SCHEMBL5749517 0.93 ERBB2 (0.54) ERBB2MINK1FFAR1MEN1KMT2A
SCHEMBL5749523 0.93 ERBB2 (0.54) ERBB2MINK1FFAR1MEN1KMT2A
SCHEMBL5750044 0.92 ERBB2 (0.65) ERBB2MINK1
SCHEMBL5746616 0.92 ERBB2 (0.65) ERBB2MINK1
SCHEMBL5750040 0.90 ERBB2 (0.44) ERBB2MINK1FFAR1
SCHEMBL5750038 0.90 ERBB2 (0.44) ERBB2MINK1FFAR1
SCHEMBL5750384 0.89 ERBB2 (0.47) ERBB2MINK1FFAR1MGLL
SCHEMBL5750391 0.89 ERBB2 (0.47) ERBB2MINK1FFAR1MGLL
SCHEMBL6582675 0.88 ERBB2 (0.57) ERBB2MINK1FFAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984653-B2 Heterocyclic compounds, oxazole derivatives, process for preparation of the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-10 US disclosed
US-20040242659-A1 Heterocyclic compounds, oxazole derivatives, process for preparation of the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-02 US disclosed
EP-1439178-A1 HETEROCYCLIC COMPOUNDS, OXAZOLE DERIVATIVES, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-21 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-20040242659-A1 Heterocyclic compounds, oxazole derivatives, process for preparation of the same and use thereof ABL1, JAK1, BTK ERBB2 17/4885MINK1 477/4885FFAR1 2010/4885

“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.