Sugi Predict

Sugi Predict / Compounds / SCHEMBL311473

SCHEMBL311473

SCHEMBL311473

COC(=O)c1cc(-c2ccc(C)cc2)cc(N2C(=O)Cc3ccccc32)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 4/20 0.62
▸ P2RX2 Q9UBL9 4/20 0.62
▸ HPGD P15428 2/20 0.45
▸ TSHR P16473 1/20 0.42
▸ MAPK14 Q16539 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38

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
SCHEMBL311093 0.88 P2RX3 (0.63) P2RX3P2RX2HPGDKMT2AMEN1
SCHEMBL311122 0.77 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL311016 0.76 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL16456324 0.74 HPGD (0.74) P2RX3P2RX2HPGDSMN1; SMN2KMT2A
SCHEMBL13002488 0.73 P2RX3 (0.57) P2RX3P2RX2HPGD
SCHEMBL1495498 0.72 TDP1 (0.64) HPGDTSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL309969 0.70 P2RX3 (0.61) P2RX3P2RX2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL13415725 0.70 CNR2 (0.60) HPGDALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL27672236 0.69 HPGD (0.66) P2RX3P2RX2HPGDALDH1A1KMT2A
SCHEMBL21241138 0.69 TDP1 (0.69) HPGDTSHRALDH1A1SMN1; SMN2KMT2A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170056398-A1 SUBSTITUTED PYRIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-02 — — US disclosed
US-20170056398-A1 SUBSTITUTED PYRIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-02 — — US disclosed
US-20170056398-A1 SUBSTITUTED PYRIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-02 — — US disclosed
US-9512112-B2 Substituted pyridines as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2016-12-06 — — US disclosed
US-9512112-B2 Substituted pyridines as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2016-12-06 — — US disclosed
US-9512112-B2 Substituted pyridines as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2016-12-06 — — US disclosed
EP-2445889-B1 NOVEL BENZOXAZOLONE -SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-08-10 — — EP disclosed
EP-2445889-B1 NOVEL BENZOXAZOLONE -SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-08-10 — — EP disclosed
US-20140323499-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2014-10-30 — — US disclosed
US-20140323499-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2014-10-30 — — US disclosed
US-20120083500-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X 2/3 ANTAGONISTS CHEN LI (CN) 2012-04-05 — — US disclosed
US-20120083500-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X 2/3 ANTAGONISTS CHEN LI (CN) 2012-04-05 — — US disclosed
US-20120083500-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X 2/3 ANTAGONISTS CHEN LI (CN) 2012-04-05 — — US disclosed
US-8093275-B2 Oxazolone and pyrrolidinone-substituted pryidine amides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2012-01-10 — — US disclosed
US-8093275-B2 Oxazolone and pyrrolidinone-substituted pryidine amides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2012-01-10 — — US disclosed
US-8093275-B2 Oxazolone and pyrrolidinone-substituted pryidine amides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2012-01-10 — — US disclosed
WO-2010149541-A1 NOVEL OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-29 — — WO disclosed
US-20100324069-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI 2010-12-23 — — US disclosed
US-20100324069-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI 2010-12-23 — — US disclosed
US-20100324069-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI 2010-12-23 — — 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-20120083500-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X 2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 P2RX3 1/4885P2RX2 2/4885HPGD 1514/4885
US-20140323499-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 P2RX3 1/4885P2RX2 2/4885HPGD 1562/4885
US-20100324069-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 P2RX3 1/4885P2RX2 2/4885HPGD 1562/4885
US-20170056398-A1 SUBSTITUTED PYRIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885HPGD 1491/4885

“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.