SCHEMBL5750140

SCHEMBL5750140

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

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 17/20 0.63
MINK1 Q8N4C8 1/20 0.63
FPR2 P25090 1/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL5750139 1.00 ERBB2 (0.63) ERBB2MINK1FPR2PPARGPPARD
SCHEMBL5751814 0.92 ERBB2 (0.63) ERBB2MINK1PPARDPPARA
SCHEMBL5751807 0.92 ERBB2 (0.63) ERBB2MINK1PPARDPPARA
SCHEMBL5752630 0.92 ERBB2 (0.66) ERBB2MINK1PPARGPPARDPPARA
SCHEMBL5752642 0.92 ERBB2 (0.66) ERBB2MINK1PPARGPPARDPPARA
SCHEMBL5751641 0.91 ERBB2 (0.64) ERBB2MINK1
SCHEMBL5751639 0.91 ERBB2 (0.64) ERBB2MINK1
SCHEMBL5751111 0.88 ERBB2 (0.70) ERBB2MINK1
SCHEMBL5751103 0.88 ERBB2 (0.70) ERBB2MINK1
SCHEMBL5751235 0.88 ERBB2 (0.72) ERBB2MINK1

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 477/4885FPR2 1455/4885

“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.