SCHEMBL638758

SCHEMBL638758

Cc1ccc(-c2cc(C(=O)O)cc(-c3nsnc3C(C)C)c2)nc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 8/20 0.71
P2RX2 Q9UBL9 8/20 0.71
NR1I2 O75469 3/20 0.40
CTRC Q99895 1/20 0.38
CYP2C9 P11712 1/20 0.37
LDHA P00338 3/20 0.36
LDHB P07195 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2A6 P11509 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
SCHEMBL640133 0.88 P2RX3 (0.70) P2RX3P2RX2NR1I2CYP2C9
SCHEMBL638720 0.83 P2RX3 (0.74) P2RX3P2RX2NR1I2
SCHEMBL638719 0.83 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL639691 0.80 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL638684 0.80 P2RX3 (0.72) P2RX3P2RX2NR1I2CTRCCYP2C9
SCHEMBL1495762 0.79 LDHA (0.50) P2RX3P2RX2CTRCLDHACYP3A4
SCHEMBL407931 0.79 P2RX3 (0.47) P2RX3P2RX2NR1I2CTRCCYP2C9
SCHEMBL3058837 0.79 P2RX3 (0.45) P2RX3P2RX2NR1I2CTRCCYP2C9
SCHEMBL3474997 0.77 DHODH (0.54) P2RX3P2RX2CTRCLDHACYP3A4
SCHEMBL3473972 0.76 LDHA (0.55) CTRCLDHACYP3A4CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170081320-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-23 US disclosed
US-20170081320-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-23 US disclosed
US-20170081320-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-23 US disclosed
US-9173861-B2 Thiadiazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2015-11-03 US disclosed
US-9173861-B2 Thiadiazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2015-11-03 US disclosed
US-9173861-B2 Thiadiazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2015-11-03 US disclosed
CN-102245586-B Thiadiazole-substituted arylamides HOFFMANN LA ROCHE 2014-07-09 CN disclosed
EP-2379518-B1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2014-05-07 EP disclosed
EP-2379518-B1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2014-05-07 EP disclosed
US-20120122886-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI (CN) 2012-05-17 US disclosed
US-20120122886-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI (CN) 2012-05-17 US disclosed
US-20120122886-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI (CN) 2012-05-17 US disclosed
US-8119644-B2 Thiadiazole-substituted arylamides as P2X3 and P2X2/3 antagonists Roche Palo Alto LLP (US) 2012-02-21 US disclosed
US-8119644-B2 Thiadiazole-substituted arylamides as P2X3 and P2X2/3 antagonists Roche Palo Alto LLP (US) 2012-02-21 US disclosed
CN-102245586-A Thiadiazole-substituted arylamides HOFFMANN LA ROCHE 2011-11-16 CN disclosed
EP-2379518-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
WO-2010069794-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-24 WO disclosed
WO-2010069794-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-24 WO disclosed
US-20100152203-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI 2010-06-17 US disclosed
US-20100152203-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI 2010-06-17 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 (3 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-20120122886-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885NR1I2 163/4885
US-20170081320-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885NR1I2 163/4885
US-20100152203-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885NR1I2 163/4885

“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.