SCHEMBL533265

SCHEMBL533265

CCCCOc1ccc2c[c]sc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA6 P23280 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA5A P35218 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
LTA4H P09960 2/20 0.39
NR5A1 Q13285 1/20 0.38
TSHR P16473 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MEN1 O00255 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
SCHEMBL534840 0.97 CA12 (0.46) CA12CA1CA2CA6CA7
SCHEMBL534319 0.95 NR5A1 (0.45) CA12CA1CA2CA6CA7
SCHEMBL533037 0.94 CA12 (0.48) CA12CA1CA2CA6CA7
SCHEMBL533036 0.87 KMT2A (0.46) CA12CA1CA2CA6CA7
SCHEMBL533531 0.79 XDH (0.40) CA2TSHRMAOANPC1ALDH1A1
SCHEMBL29779708 0.76 CA12 (0.59) CA12CA1CA2CA6CA7
SCHEMBL19809314 0.76 CA12 (0.59) CA12CA1CA2CA6CA7
SCHEMBL533336 0.74 TLR8 (0.42) ALDH1A1CYP3A4
SCHEMBL3794336 0.73 MRGPRX4 (0.47) CA12CA1CA2CA6CA7
SCHEMBL5535942 0.73 NQO1 (0.43) CA12CA1CA2CA6CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CA12 2475/4885CA1 2988/4885CA2 355/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CA12 2441/4885CA1 3053/4885CA2 359/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 CA12 1434/4885CA1 1757/4885CA2 79/4885

“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.