SCHEMBL14688193

SCHEMBL14688193

Cc1ncc(/C=C/C(=O)O)c(C=O)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ AOX1 Q06278 1/20 0.53
▸ TRIM24 O15164 1/20 0.51
▸ TRIM33 Q9UPN9 1/20 0.51
▸ PTGS1 P23219 2/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ ACP1 P24666 1/20 0.44
▸ PDE4A P27815 1/20 0.44
▸ P2RX1 P51575 1/20 0.44
▸ P2RX2 Q9UBL9 1/20 0.44
▸ ERN1 O75460 1/20 0.44
▸ P2RX3 P56373 2/20 0.43
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ NFKB1 P19838 1/20 0.40

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
SCHEMBL14688195 1.00 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2ALMNAHPGD
SCHEMBL14687531 0.82 P2RX3 (0.39) ALDH1A1KDM4EKMT2ALMNAHPGD
SCHEMBL14687532 0.82 P2RX3 (0.39) ALDH1A1KDM4EKMT2ALMNAHPGD
SCHEMBL11016592 0.80 KDM4E (0.50) ALDH1A1KDM4EKMT2ALMNAHPGD
SCHEMBL11016590 0.80 KDM4E (0.50) ALDH1A1KDM4EKMT2ALMNAHPGD
SCHEMBL11715941 0.78 KDM4E (0.38) ALDH1A1KDM4EKMT2ALMNAHPGD
SCHEMBL11715951 0.78 KDM4E (0.38) ALDH1A1KDM4EKMT2ALMNAHPGD
SCHEMBL11011837 0.77 KDM4E (0.57) ALDH1A1KDM4EKMT2ALMNAHPGD
Hydrochloric Acid SCHEMBL11014836 0.77 TRIM24 (0.39) ALDH1A1KDM4EKMT2ALMNAHPGD
Hydrochloric Acid SCHEMBL11014837 0.77 TRIM24 (0.39) ALDH1A1KDM4EKMT2ALMNAHPGD

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-9546139-B2 Pyridine carboxylic acid based compound used as a P2X1 and P2X3 receptor antagonist, a production method for the same and a composition comprising the same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-01-17 — — US claimed
US-20130040997-A1 NOVEL PYRIDINE CARBOXYLIC ACID BASED COMPOUND USED AS A P2X1 AND P2X3 RECEPTOR ANTAGONIST, A PRODUCTION METHOD FOR THE SAME AND A COMPOSITION COMPRISING THE SAME GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-02-14 — — US claimed
US-9546139-B2 Pyridine carboxylic acid based compound used as a P2X1 and P2X3 receptor antagonist, a production method for the same and a composition comprising the same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-01-17 — — US disclosed
US-9546139-B2 Pyridine carboxylic acid based compound used as a P2X1 and P2X3 receptor antagonist, a production method for the same and a composition comprising the same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-01-17 — — US disclosed
US-9546139-B2 Pyridine carboxylic acid based compound used as a P2X1 and P2X3 receptor antagonist, a production method for the same and a composition comprising the same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-01-17 — — US disclosed
US-20130040997-A1 NOVEL PYRIDINE CARBOXYLIC ACID BASED COMPOUND USED AS A P2X1 AND P2X3 RECEPTOR ANTAGONIST, A PRODUCTION METHOD FOR THE SAME AND A COMPOSITION COMPRISING THE SAME GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-02-14 — — US disclosed
US-20130040997-A1 NOVEL PYRIDINE CARBOXYLIC ACID BASED COMPOUND USED AS A P2X1 AND P2X3 RECEPTOR ANTAGONIST, A PRODUCTION METHOD FOR THE SAME AND A COMPOSITION COMPRISING THE SAME GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-02-14 — — US disclosed
US-20130040997-A1 NOVEL PYRIDINE CARBOXYLIC ACID BASED COMPOUND USED AS A P2X1 AND P2X3 RECEPTOR ANTAGONIST, A PRODUCTION METHOD FOR THE SAME AND A COMPOSITION COMPRISING THE SAME GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-02-14 — — 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 (1 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-20130040997-A1 NOVEL PYRIDINE CARBOXYLIC ACID BASED COMPOUND USED AS A P2X1 AND P2X3 RECEPTOR ANTAGONIST, A PRODUCTION METHOD FOR THE SAME AND A COMPOSITION COMPRISING THE SAME P2RX3, P2RX1, P2RX2 ALDH1A1 619/4885KDM4E 3029/4885KMT2A 3142/4885

“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.

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