SCHEMBL533745

SCHEMBL533745

Cc1nc(CC(C)(C)OC(=O)NCC(=O)O)ccc1Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.34
EGLN1 Q9GZT9 8/20 0.33
NPC1 O15118 3/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
RBP4 P02753 1/20 0.31
KMT2A Q03164 3/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
IGF1R P08069 1/20 0.30
BBOX1 O75936 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 1/20 0.30
ASPH Q12797 1/20 0.30
KDM8 Q8N371 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
SCHEMBL533562 0.86 RBP4 (0.30) RBP4
SCHEMBL534486 0.80 CA2 (0.34) RAB9ANPC1ALDH1A1MAPK1
SCHEMBL27714178 0.79 RAB9A (0.33) RAB9ANPC1ALDH1A1MAPK1KMT2A
SCHEMBL17680468 0.78 CA1 (0.44) RAB9ANPC1KMT2ALMNAMEN1
SCHEMBL31104352 0.78 CA1 (0.44) RAB9ANPC1KMT2ALMNAMEN1
SCHEMBL534537 0.77 NPSR1 (0.36) RBP4KMT2AMEN1OPRM1OPRD1
SCHEMBL2921602 0.74 CTSK (0.44) RAB9ANPC1ALDH1A1RBP4KMT2A
SCHEMBL2929113 0.74 CTSK (0.42) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL2919369 0.70 CTSK (0.46) RAB9ANPC1THRATHRB
SCHEMBL17472654 0.70 MCL1 (0.41) ALDH1A1LMNASMN1; SMN2POLB

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 7 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
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP disclosed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 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 RAB9A 2549/4885EGLN1 2453/4885NPC1 3585/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 RAB9A 2112/4885EGLN1 2191/4885NPC1 3814/4885
US-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR RAB9A 1386/4885EGLN1 2127/4885NPC1 1597/4885

“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.