SCHEMBL3067954

SCHEMBL3067954

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ HCAR2 Q8TDS4 1/20 0.38
▸ TTR P02766 1/20 0.37
▸ P2RY14 Q15391 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ SRD5A1 P18405 1/20 0.33
▸ SRD5A2 P31213 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA7 P43166 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA14 Q9ULX7 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HCAR1 Q9BXC0 1/20 0.32
▸ TPMT P51580 3/20 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
SCHEMBL3067956 1.00 POLB (0.38) POLBHCAR2TTRP2RY14NOTUM
SCHEMBL3067961 1.00 POLB (0.38) POLBHCAR2TTRP2RY14NOTUM
SCHEMBL3053509 0.81 NOTUM (0.37) POLBHCAR2TTRP2RY14NOTUM
SCHEMBL15792152 0.81 CYP11B2 (0.30) CYP11B2
SCHEMBL1495639 0.81 NOTUM (0.59) POLBNOTUMCA12CA1CA2
SCHEMBL3063076 0.79 NOTUM (0.42) NOTUMCA12CA1CA2CA9
SCHEMBL29639672 0.78 DAO (0.44) POLBHCAR2TTRP2RY14SRD5A1
SCHEMBL28429976 0.75 HCAR1 (0.42) POLBHCAR2TTRSRD5A1SRD5A2
SCHEMBL31430971 0.74 FABP3 (0.47) POLBHCAR2TTRSRD5A1SRD5A2
SCHEMBL15119369 0.74 FABP3 (0.47) POLBHCAR2TTRSRD5A1SRD5A2

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
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

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 POLB 4302/4885HCAR2 113/4885TTR 4327/4885

“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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