SCHEMBL2710522

SCHEMBL2710522

Cc1ccc(-c2cc(C(=O)O)cc(N3C(=O)CCC3C)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.49
P2RX2 Q9UBL9 4/20 0.49
P2RY14 Q15391 3/20 0.45
DHODH Q02127 1/20 0.42
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
FABP1 P07148 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABL1 P00519 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
SCHEMBL311079 0.79 P2RX3 (0.53) P2RX3P2RX2
SCHEMBL16542508 0.77 ALDH1A1 (0.54) KMT2ASMN1; SMN2
SCHEMBL2174227 0.76 ALDH1A1 (0.57) P2RY14DHODHKMT2ALMNAHTT
SCHEMBL14687147 0.76 CA12 (0.53) KMT2AABL1
SCHEMBL2761075 0.76 DHODH (0.50) P2RY14DHODHRXRARXRBFABP1
SCHEMBL16418266 0.76 DHODH (0.50) P2RY14DHODHRXRARXRBFABP1
SCHEMBL13002224 0.75 P2RX3 (0.68) P2RX3P2RX2ABL1
SCHEMBL4636834 0.75 GAA (0.46) KMT2ALMNAABL1
SCHEMBL2173190 0.74 ALDH1A1 (0.54) P2RY14DHODHKMT2ALMNAHTT
SCHEMBL2709019 0.72 P2RX3 (0.74) P2RX3P2RX2

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 11 patents. 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 claimed
EP-2445889-A1 NOVEL OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES F. Hoffmann-La Roche AG (CH) 2012-05-02 EP claimed
WO-2010149541-A1 NOVEL OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-29 WO claimed
US-20100324069-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI 2010-12-23 US claimed
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-20140323499-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2014-10-30 US disclosed
US-8809402-B2 Oxazolone and pyrrolidinone-substituted biphenyls as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2014-08-19 US disclosed
EP-2445889-A1 NOVEL OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES F. Hoffmann-La Roche AG (CH) 2012-05-02 EP 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

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-20140323499-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 P2RX3 1/4885P2RX2 2/4885P2RY14 17/4885
US-20100324069-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 P2RX3 1/4885P2RX2 2/4885P2RY14 17/4885
US-20170056398-A1 SUBSTITUTED PYRIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885P2RY14 16/4885

“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.