SCHEMBL3072277

SCHEMBL3072277

CC(C)(O)c1cc(Br)cc(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
POLB P06746 2/20 0.41
HCAR2 Q8TDS4 1/20 0.41
TTR P02766 1/20 0.41
TPMT P51580 3/20 0.39
RXRA P19793 4/20 0.37
RXRB P28702 4/20 0.37
RXRG P48443 1/20 0.37
SRD5A2 P31213 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35

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
SCHEMBL1189466 0.86 RXRA (0.50) NOTUMPOLBHCAR2TTRTPMT
SCHEMBL9935096 0.86 RXRA (0.47) TTRTPMTRXRARXRBRXRG
SCHEMBL4421692 0.85 RXRA (0.49) NOTUMPOLBHCAR2TTRTPMT
SCHEMBL29728806 0.83 NOTUM (0.51) NOTUMPOLBHCAR2TTRTPMT
SCHEMBL29728800 0.83 NOTUM (0.51) NOTUMPOLBHCAR2TTRTPMT
SCHEMBL23411745 0.83 NOTUM (0.51) NOTUMPOLBHCAR2TTRTPMT
SCHEMBL23411618 0.83 NOTUM (0.51) NOTUMPOLBHCAR2TTRTPMT
SCHEMBL14995671 0.80 NOTUM (0.71) NOTUMPOLBCA12CA1CA2
SCHEMBL15122888 0.80 RXRB (0.56) TPMTRXRARXRBRXRGSRD5A2
SCHEMBL23411876 0.79 NOTUM (0.51) NOTUMCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215049-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2019-06-12 EP disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
EP-2215049-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2010-08-11 EP disclosed
WO-2009058298-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK & CO., INC. (US) 2009-05-07 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-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.