SCHEMBL3053509

SCHEMBL3053509

NC(c1cc(Br)cc(C(=O)O)c1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.37
▸ TTR P02766 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ANPEP P15144 2/20 0.35
▸ ENPEP Q07075 1/20 0.35
▸ P2RY14 Q15391 1/20 0.34
▸ DAO P14920 2/20 0.33
▸ PTGS2 P35354 3/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ GRM1 Q13255 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SRD5A1 P18405 1/20 0.32
▸ SRD5A2 P31213 1/20 0.32
▸ LOXL2 Q9Y4K0 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 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
SCHEMBL3067961 0.81 POLB (0.38) NOTUMPOLBHCAR2TTRMEN1
SCHEMBL3067954 0.81 POLB (0.38) NOTUMPOLBHCAR2TTRMEN1
SCHEMBL3067956 0.81 POLB (0.38) NOTUMPOLBHCAR2TTRMEN1
SCHEMBL3071020 0.79 NOTUM (0.44) NOTUMCA12CA1CA2CA9
SCHEMBL29639672 0.77 DAO (0.44) POLBHCAR2TTRMEN1KMT2A
SCHEMBL31430971 0.73 FABP3 (0.47) POLBHCAR2TTRMEN1KMT2A
SCHEMBL20768664 0.73 ANPEP (0.52) ANPEPENPEPDAOSRD5A2CA12
SCHEMBL15119369 0.73 FABP3 (0.47) POLBHCAR2TTRMEN1KMT2A
SCHEMBL23501889 0.71 TTR (0.56) POLBHCAR2TTRMEN1KMT2A
SCHEMBL475757 0.71 TTR (0.56) POLBHCAR2TTRMEN1KMT2A

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-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 — — 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-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 NOTUM 4636/4885POLB 4302/4885HCAR2 113/4885

“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.

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