SCHEMBL533266

SCHEMBL533266

[c]1ccc(C2CCCO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
PRKAG1 P54619 9/20 0.35
PRKAA1 Q13131 9/20 0.35
PRKAB1 Q9Y478 9/20 0.35
PRKAA2 P54646 8/20 0.35
PRKAB2 O43741 7/20 0.35
PRKAG3 Q9UGI9 7/20 0.35
PRKAG2 Q9UGJ0 7/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL533376 0.94 KCNH2 (0.43) KCNH2HRH3PRKAG1PRKAA1PRKAB1
SCHEMBL25239780 0.89 TSHR (0.37) KCNH2HRH3TSHR
SCHEMBL19662088 0.86 KCNH2 (0.50) KCNH2HRH3PRKAG1PRKAA1PRKAB1
Water SCHEMBL7156214 0.83 TSHR (0.54) KCNH2HRH3PRKAG1PRKAA1PRKAB1
SCHEMBL17414393 0.80 TSHR (0.56) KCNH2HRH3PRKAG1PRKAA1PRKAB1
SCHEMBL28414 0.80 TSHR (0.56) KCNH2HRH3PRKAG1PRKAA1PRKAB1
SCHEMBL28318493 0.78 TSHR (0.54) KCNH2HRH3PRKAG1PRKAA1PRKAB1
SCHEMBL972955 0.77 KCNH2 (0.34) KCNH2HRH3NPC1POLBMAPT
SCHEMBL9772734 0.77 KCNH2 (0.44) KCNH2HRH3PRKAG1PRKAA1PRKAB1
SCHEMBL9772749 0.77 SLC6A2 (0.44) KCNH2HRH3PRKAG1PRKAA1PRKAB1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
CN-103965099-A Pyridylaminoacetic Acid Compound UBE INDUSTRIES 2014-08-06 CN disclosed
CN-101970410-B Pyridylaminoacetic acid compounds UBE INDUSTRIES 2014-06-25 CN disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 EP 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-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 KCNH2 1300/4885HRH3 100/4885PRKAG1 755/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 KCNH2 1354/4885HRH3 107/4885PRKAG1 647/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 KCNH2 211/4885HRH3 579/4885PRKAG1 3699/4885

“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.