SCHEMBL2989987

SCHEMBL2989987

Cc1ccc(-c2cc(C(=O)O)cc(-c3cscn3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.50
KDM4A O75164 1/20 0.50
KDM4B O94953 1/20 0.50
KDM5C P41229 1/20 0.50
KDM5B Q9UGL1 1/20 0.50
CTRC Q99895 1/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
P2RY14 Q15391 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
FABP1 P07148 1/20 0.42
MAP4K4 O95819 1/20 0.42
CHEK2 O96017 1/20 0.41
ALPL P05186 1/20 0.41
KAT6A Q92794 1/20 0.41
KDM2B Q8NHM5 1/20 0.41

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
SCHEMBL29261795 0.81 P2RY14 (0.66) KDM4AKDM4BKDM5CKDM5BP2RY14
SCHEMBL16196117 0.80 DHODH (0.70) DHODHCTRCRXRARXRBP2RY14
SCHEMBL3474997 0.78 DHODH (0.54) DHODHCTRCRXRARXRBP2RY14
SCHEMBL3234650 0.78 KMT2A (0.59) DHODHCTRCRXRARXRBP2RY14
SCHEMBL3474973 0.77 DHODH (0.59) DHODHCTRCRXRARXRBP2RY14
SCHEMBL600911 0.77 KDM4A (0.58) KDM4AKDM4BKDM5CKDM5BALDH1A1
SCHEMBL17275048 0.77 KDM4A (0.51) KDM4AKDM4BKDM5CKDM5BCTRC
SCHEMBL1495453 0.77 DHODH (0.70) DHODHCTRCRXRARXRBP2RY14
SCHEMBL10284703 0.77 KMT2A (0.48) ALDH1A1KDM4EMAPTCHEK2SMN1; SMN2
SCHEMBL31018816 0.76 KDM4A (0.67) KDM4AKDM4BKDM5CKDM5BRXRA

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 7 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

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-20170182057-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 DHODH 3038/4885KDM4A 3855/4885KDM4B 3319/4885
US-20130296310-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 DHODH 3193/4885KDM4A 3616/4885KDM4B 3139/4885
US-20160222004-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 DHODH 3193/4885KDM4A 3616/4885KDM4B 3139/4885

“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.