SCHEMBL408578

SCHEMBL408578

Cc1ccc(-c2cc(C(=O)O)cc(-c3cncs3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.51
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
CTRC Q99895 1/20 0.44
P2RY14 Q15391 2/20 0.43
FABP1 P07148 1/20 0.43
MAP4K4 O95819 1/20 0.43
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CHEK1 O14757 1/20 0.40
CHEK2 O96017 1/20 0.40
CD38 P28907 1/20 0.40
ALPL P05186 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL408325 0.83 KDM1A (0.42) DHODHCTRCCHEK1CHEK2
SCHEMBL29261789 0.82 P2RY14 (0.62) P2RY14FABP1ALDH1A1KDM4EMAPT
SCHEMBL16196117 0.81 DHODH (0.70) DHODHRXRARXRBCTRCP2RY14
SCHEMBL3474973 0.79 DHODH (0.59) DHODHRXRARXRBCTRCP2RY14
SCHEMBL1495453 0.78 DHODH (0.70) DHODHRXRARXRBCTRCP2RY14
SCHEMBL2988942 0.77 DHODH (0.51) DHODHRXRARXRBCTRCP2RY14
SCHEMBL1221400 0.76 CSNK2A1 (0.53) ALDH1A1SMN1; SMN2KDM4EGAACHEK1
SCHEMBL2977440 0.76 P2RX3 (0.53) DHODHRXRARXRBCTRCP2RY14
SCHEMBL31125568 0.76 KMO (0.55) RXRARXRBGAACHEK1CHEK2
SCHEMBL942184 0.76 KMO (0.55) RXRARXRBGAACHEK1CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9849136-B2 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2017-12-26 US disclosed
US-20170182057-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-06-29 US disclosed
US-9617254-B2 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2017-04-11 US disclosed
US-20160222004-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2016-08-04 US disclosed
US-20130296310-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2013-11-07 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
EP-2091927-B1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed
US-7786110-B2 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2010-08-31 US disclosed
EP-2091927-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES F. Hoffmann-Roche AG (CH) 2009-08-26 EP disclosed
US-20080132494-A1 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-06-05 US disclosed
WO-2008055840-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO 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 (5 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-20170182057-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 DHODH 3038/4885RXRA 111/4885RXRB 125/4885
US-20120022067-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 DHODH 3193/4885RXRA 126/4885RXRB 136/4885
US-20130296310-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 DHODH 3193/4885RXRA 126/4885RXRB 136/4885
US-20080132494-A1 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX1 DHODH 3193/4885RXRA 126/4885RXRB 136/4885
US-20160222004-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 DHODH 3193/4885RXRA 126/4885RXRB 136/4885

“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.