SCHEMBL4454082

SCHEMBL4454082

CC(=O)C(C)=C(Br)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
THPO P40225 1/20 0.35
FFAR3 O14843 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CA4 P22748 1/20 0.30

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
SCHEMBL4454078 1.00 TSHR (0.35) TSHRTHPOFFAR3LCKFYN
SCHEMBL9306774 0.84 FFAR3 (0.38) FFAR3LCKFYN
SCHEMBL8081158 0.84 FFAR3 (0.38) FFAR3LCKFYN
SCHEMBL1430512 0.73
SCHEMBL10942185 0.71 CA1 (0.36) TSHRFFAR3LCKFYN
SCHEMBL713652 0.71 CA1 (0.36) TSHRFFAR3LCKFYN
SCHEMBL713653 0.71 CA1 (0.36) TSHRFFAR3LCKFYN
SCHEMBL4119300 0.69 TSHR (0.43) TSHRTHPOFFAR3LCKFYN
SCHEMBL819602 0.69 TSHR (0.43) TSHRTHPOFFAR3LCKFYN
SCHEMBL9871980 0.69 TSHR (0.43) TSHRTHPOFFAR3LCKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048461-A1 Regulators of Bacterial Signalling Pathways BIOSIGNAL LIMITED (AU) 2009-02-19 US 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-20090048461-A1 Regulators of Bacterial Signalling Pathways MRPL21, FNTB, ATF1 TSHR 1720/4885THPO 4121/4885FFAR3 2067/4885

“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.