SCHEMBL4177211

SCHEMBL4177211

Cc1ccc(-c2cc(C(=O)O)cc(-n3cnnc3C(C)C)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 5/20 0.42
DHODH Q02127 1/20 0.41
CTRC Q99895 1/20 0.41
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
FABP1 P07148 1/20 0.38
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAP4K4 O95819 1/20 0.35
P2RX3 P56373 2/20 0.35
P2RX2 Q9UBL9 2/20 0.35
TYMS P04818 1/20 0.35
NR4A1 P22736 1/20 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
SCHEMBL18706169 0.85 P2RY14 (0.40) P2RY14ALDH1A1P2RX3P2RX2
SCHEMBL2276922 0.83 P2RX3 (0.54) P2RX3P2RX2
SCHEMBL2271098 0.83 P2RX3 (0.54) P2RX3P2RX2
SCHEMBL3727443 0.81 DHODH (0.41) P2RY14DHODHCTRCRXRARXRB
SCHEMBL2277974 0.81
SCHEMBL3720193 0.80 P2RY14 (0.42) P2RY14DHODHCTRCRXRARXRB
SCHEMBL2274756 0.80 P2RY14 (0.42) P2RY14DHODHCTRCRXRARXRB
SCHEMBL18706020 0.79 P2RY14 (0.37) P2RY14HPGDNR4A1
SCHEMBL4051058 0.79 P2RX3 (0.46) P2RY14DHODHCTRCRXRARXRB
SCHEMBL2274819 0.78 P2RX3 (0.63) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150065521-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 MODULATORS ROCHE PALO ALTO LLC (US) 2015-03-05 US disclosed
EP-2607356-A1 Triazole-substituted arylamide derivatives and their use as P2x3 and /or P2x2/3 purinergic receptor antagonists F. Hoffmann-La Roche AG (CH) 2013-06-26 EP disclosed
US-8440708-B2 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-05-14 US disclosed
US-20090170874-A1 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-07-02 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 (2 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-20090170874-A1 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX7 P2RY14 15/4885DHODH 3983/4885CTRC 2408/4885
US-20150065521-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 MODULATORS P2RX3, P2RX2, P2RX7 P2RY14 14/4885DHODH 4213/4885CTRC 2972/4885

“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.