SCHEMBL10187971

SCHEMBL10187971

CC[C@@H](C)NC(=O)c1cc(-c2nccs2)cc(-c2ccc(C)cc2F)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.44
P2RX2 Q9UBL9 5/20 0.44
CYP2D6 P10635 1/20 0.38
CCR3 P51677 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
KDM1A O60341 1/20 0.38
HDAC1 Q13547 1/20 0.38
GABRA5 P31644 1/20 0.37

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
SCHEMBL13205459 0.92 P2RX3 (0.52) P2RX3P2RX2
SCHEMBL409775 0.92 P2RX3 (0.52) P2RX3P2RX2
SCHEMBL409512 0.87 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL406067 0.84 P2RX3 (0.59) P2RX3P2RX2CYP2D6CCR3
SCHEMBL10187941 0.84 P2RX3 (0.59) P2RX3P2RX2CYP2D6CCR3
SCHEMBL10187954 0.84 P2RX3 (0.47) P2RX3P2RX2
SCHEMBL407487 0.84 P2RX3 (0.47) P2RX3P2RX2
SCHEMBL409278 0.83 JAK2 (0.41) KDM1AHDAC1
SCHEMBL410741 0.83 P2RX3 (0.59) P2RX3P2RX2
SCHEMBL10187940 0.83 P2RX3 (0.46) P2RX3P2RX2CYP2D6CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501933-B2 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-08-06 US disclosed
US-8501933-B2 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-08-06 US disclosed
US-20120022067-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI (CN) 2012-01-26 US disclosed
US-20120022067-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI (CN) 2012-01-26 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-20120022067-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 P2RX3 1/4885P2RX2 2/4885CYP2D6 2266/4885

“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.