SCHEMBL14687531

SCHEMBL14687531

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 3/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA4 P22748 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ P4HTM Q9NXG6 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ AOX1 Q06278 1/20 0.37
▸ TRIM24 O15164 1/20 0.36
▸ TRIM33 Q9UPN9 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ PTGER3 P43115 1/20 0.35
▸ PTGER2 P43116 1/20 0.35

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
SCHEMBL14687532 1.00 P2RX3 (0.39) P2RX3KDM4EKMT2ACA1CA2
SCHEMBL14688193 0.82 ALDH1A1 (0.53) P2RX3KDM4EKMT2ACA1CA2
SCHEMBL14688195 0.82 ALDH1A1 (0.53) P2RX3KDM4EKMT2ACA1CA2
SCHEMBL14575607 0.81 KDM4E (0.44) P2RX3KDM4EKMT2AALDH1A1MEN1
SCHEMBL11016592 0.78 KDM4E (0.50) KDM4EKMT2ACA1CA2CA4
SCHEMBL11016590 0.78 KDM4E (0.50) KDM4EKMT2ACA1CA2CA4
SCHEMBL11715951 0.77 KDM4E (0.38) P2RX3KDM4EKMT2ACA1CA2
SCHEMBL11715941 0.77 KDM4E (0.38) P2RX3KDM4EKMT2ACA1CA2
Hydrochloric Acid SCHEMBL11014836 0.76 TRIM24 (0.39) P2RX3KDM4EKMT2ACA1CA2
Hydrochloric Acid SCHEMBL11014837 0.76 TRIM24 (0.39) P2RX3KDM4EKMT2ACA1CA2

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 P2RX3 1/4885KDM4E 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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