SCHEMBL2977436

SCHEMBL2977436

CCc1ncsc1-c1cc(C(=O)O)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.47
P2RX3 P56373 1/20 0.44
P2RX2 Q9UBL9 1/20 0.44
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
CTRC Q99895 1/20 0.40
P2RY14 Q15391 2/20 0.40
FABP1 P07148 1/20 0.40
MAP4K4 O95819 1/20 0.40
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
PDE4A P27815 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 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
SCHEMBL2977440 0.85 P2RX3 (0.53) DHODHP2RX3P2RX2RXRARXRB
SCHEMBL409733 0.79 P2RX3 (0.54) P2RX3P2RX2
SCHEMBL16196117 0.77 DHODH (0.70) DHODHRXRARXRBCTRCP2RY14
SCHEMBL1495453 0.73 DHODH (0.70) DHODHRXRARXRBCTRCP2RY14
SCHEMBL408578 0.73 DHODH (0.51) DHODHRXRARXRBCTRCP2RY14
SCHEMBL406923 0.73 DHODH (0.51) DHODHRXRARXRBCTRCP2RY14
SCHEMBL2989987 0.72 DHODH (0.50) DHODHRXRARXRBCTRCP2RY14
SCHEMBL2185503 0.72 DHODH (0.60) DHODHRXRARXRBCTRCP2RY14
SCHEMBL27777355 0.72 PTPN1 (0.42) DHODHALDH1A1KDM4EMAPTHPGD
SCHEMBL3474973 0.71 DHODH (0.59) DHODHRXRARXRBCTRCP2RY14

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 8 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-7786110-B2 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2010-08-31 US disclosed
US-20080132494-A1 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-06-05 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 (4 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 3038/4885P2RX3 1/4885P2RX2 2/4885
US-20130296310-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 DHODH 3193/4885P2RX3 1/4885P2RX2 2/4885
US-20080132494-A1 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX1 DHODH 3193/4885P2RX3 1/4885P2RX2 2/4885
US-20160222004-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 DHODH 3193/4885P2RX3 1/4885P2RX2 2/4885

“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.