SCHEMBL533686

SCHEMBL533686

CC(C)(C)OC(=O)N(c1cccc(CN)n1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.36
NR1H2 P55055 1/20 0.31
HTR2C P28335 2/20 0.30
SLC6A4 P31645 2/20 0.30
PLG P00747 1/20 0.30
PLAU P00749 1/20 0.30
PLAT P00750 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL533335 0.89 SLC7A5 (0.34) SLC7A5HTR2CSLC6A4MMP13
SCHEMBL11024456 0.83 GRM5 (0.35) SLC7A5
SCHEMBL10321648 0.80 FGFR4 (0.34) SLC7A5
SCHEMBL533688 0.80 SLC7A5 (0.34) SLC7A5
SCHEMBL10322535 0.79 CYP1A2 (0.49) SLC7A5
SCHEMBL533716 0.77 KMT2A (0.39) MMP13
SCHEMBL534179 0.77 KDM4E (0.30) SLC7A5
SCHEMBL534180 0.77 KDM4E (0.30) SLC7A5
SCHEMBL534536 0.77 NR1H2 (0.34) SLC7A5NR1H2HTR2CSLC6A4
SCHEMBL533519 0.77 MAPT (0.42)

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-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-09-06 US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
US-20120184747-A1 ANILINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-07-19 US disclosed
EP-2476668-A1 ANILINE COMPOUNDS Ube Industries, Ltd. (JP) 2012-07-18 EP disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 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-20120184747-A1 ANILINE COMPOUND PTGER2, ADRB2, PTGER1 SLC7A5 2361/4885NR1H2 231/4885HTR2C 97/4885
US-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND PTGER2, PTGER1, LTB4R2 SLC7A5 3613/4885NR1H2 111/4885HTR2C 664/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 SLC7A5 734/4885NR1H2 738/4885HTR2C 1214/4885

“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.