SCHEMBL4173515

SCHEMBL4173515

Cc1ccc(-c2cc(C(=O)O)cc(-n3nc(C)nc3C(C)C)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.43
DHODH Q02127 1/20 0.41
P2RY14 Q15391 3/20 0.40
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
FABP1 P07148 1/20 0.38
KDM4C Q9H3R0 3/20 0.37
KDM5B Q9UGL1 3/20 0.37
KDM5A P29375 2/20 0.37
P2RX3 P56373 3/20 0.37
P2RX2 Q9UBL9 3/20 0.37
PPP1CA P62136 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4A O75164 1/20 0.36

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
SCHEMBL2272633 0.83 P2RX3 (0.56) P2RX3P2RX2
SCHEMBL2272638 0.83 P2RX3 (0.56) P2RX3P2RX2
SCHEMBL2278513 0.82 DHODH (0.42) CTRCDHODHP2RY14RXRARXRB
SCHEMBL4051058 0.81 P2RX3 (0.46) CTRCDHODHP2RY14RXRARXRB
SCHEMBL2273165 0.81
SCHEMBL2270995 0.78 P2RX3 (0.66) P2RX3P2RX2
SCHEMBL4167889 0.78 DHODH (0.41) CTRCDHODHP2RY14RXRARXRB
SCHEMBL2274756 0.77 P2RY14 (0.42) CTRCDHODHP2RY14RXRARXRB
SCHEMBL2276901 0.77 P2RY14 (0.42) CTRCDHODHP2RY14RXRARXRB
SCHEMBL3720193 0.77 P2RY14 (0.42) CTRCDHODHP2RY14RXRARXRB

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 CTRC 2408/4885DHODH 3983/4885P2RY14 15/4885
US-20150065521-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 MODULATORS P2RX3, P2RX2, P2RX7 CTRC 2972/4885DHODH 4213/4885P2RY14 14/4885

“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.