SCHEMBL408566

SCHEMBL408566

Cc1ccc(-c2cc(C(=O)NC(C)CN3CCN(S(C)(=O)=O)CC3)cc(-c3cncs3)c2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.46
P2RX2 Q9UBL9 5/20 0.46
HDAC1 Q13547 3/20 0.37
KDM1A O60341 2/20 0.37
HDAC6 Q9UBN7 3/20 0.35
HDAC4 P56524 2/20 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
SCHEMBL10187923 1.00 P2RX3 (0.46) P2RX3P2RX2HDAC1KDM1AHDAC6
SCHEMBL409386 0.90 P2RX3 (0.56) P2RX3P2RX2
SCHEMBL10187933 0.90 P2RX3 (0.56) P2RX3P2RX2
SCHEMBL1714470 0.87 P2RX3 (0.40) P2RX3P2RX2
SCHEMBL10187945 0.87 P2RX3 (0.40) P2RX3P2RX2
SCHEMBL10187940 0.85 P2RX3 (0.46) P2RX3P2RX2
SCHEMBL409203 0.85 P2RX3 (0.46) P2RX3P2RX2
SCHEMBL10243265 0.80 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL10187925 0.78 P2RX3 (0.58) P2RX3P2RX2
SCHEMBL408698 0.78 P2RX3 (0.58) P2RX3P2RX2

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-7786110-B2 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2010-08-31 US claimed
US-20120022067-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI (CN) 2012-01-26 US disclosed
EP-2091927-B1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2011-07-20 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-20120022067-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 P2RX3 1/4885P2RX2 2/4885HDAC1 1096/4885

“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.