SCHEMBL787523

SCHEMBL787523

CC(COc1ccc(N)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
TSHR P16473 1/20 0.47
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42
MAOA P21397 2/20 0.42
GAA P10253 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL14273066 0.84 L3MBTL1 (0.53) TSHRMAPTLMNAALDH1A1MTNR1A
SCHEMBL28083583 0.84 SLC6A2 (0.50) MAPTNPSR1LMNAMTNR1AMTNR1B
SCHEMBL28255815 0.84 SLC6A2 (0.50) MAPTNPSR1LMNAMTNR1AMTNR1B
SCHEMBL11006473 0.84 SLC6A2 (0.50) MAPTNPSR1LMNAMTNR1AMTNR1B
SCHEMBL8413209 0.83 TAAR1 (0.47) TDP1NPSR1MAOB
SCHEMBL15866588 0.83 LMNA (0.62) LMNAMTNR1AMTNR1BMAOAFFAR1
SCHEMBL31032939 0.83 LMNA (0.62) LMNAMTNR1AMTNR1BMAOAFFAR1
SCHEMBL787266 0.83 LMNA (0.62) LMNAMTNR1AMTNR1BMAOAFFAR1
SCHEMBL8409668 0.83 FFAR1 (0.46) TDP1TSHRLMNAKDM4EMTNR1A
SCHEMBL1304301 0.82 MAPK1 (0.60) TSHRMAPTNPSR1LMNAPOLB

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048896-B2 Inhibit nonenzymatic formation of advanced glycation end-products (AGE) using e.g. aminoguanidine, OPB-9195 [(+/-)-2-isopropylidenehydrazono-4-oxo-thiazolidin-5-yla cetanilide], pyridoxamine, antioxidants, alagebrium, antihypertensives, angiotensin-converting enzyme inhibitors Cell Viable Corporation (US) 2011-11-01 US claimed
EP-1165064-B1 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) HOPE CITY (US) 2004-02-25 EP claimed
US-6337350-B1 CROSSLINKING INHIBITION OF PROTEINS CITY OF HOPE 2002-01-08 US claimed
EP-1165064-A2 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) City of Hope (US) 2002-01-02 EP claimed
WO-2000059875-A2 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) CITY OF HOPE (US) 2000-10-12 WO claimed
US-9040553-B2 Phenoxyisobutyric acid compounds and method of synthesis Cell Viable Corporation (US) 2015-05-26 US disclosed
US-20140371316-A1 DERIVATIVES OF PHENOXYISOBUTYRIC ACID FABRICANT JILL S (US) 2014-12-18 US disclosed
US-20140350045-A1 PHENOXYISOBUTYRIC ACID COMPOUNDS AND METHOD OF SYNTHESIS LALEZARI IRAJ (US) 2014-11-27 US disclosed
EP-2782902-A2 DERIVATIVES OF PHENOXYISOBUTYRIC ACID Fabricant, Jill, S. (US) 2014-10-01 EP disclosed
EP-2616430-A2 NOVEL PHENOXYISOBUTYRIC ACID COMPOUNDS AND METHODS FOR SYNTHESIS Cell Viable Corporation (US) 2013-07-24 EP disclosed
WO-2013078446-A2 DERIVATIVES OF PHENOXYISOBUTYRIC ACID FABRICANT JILL S (US) 2013-05-30 WO disclosed
US-20120232120-A1 AMINO ACID AMIDES OF PHENOXYBUTYRIC ACID DERIVATIVES LALEZARI IRAJ (US) 2012-09-13 US disclosed
WO-2007044309-A2 DEVICE AND METHOD FOR INHIBITING AGE COMPLEX FORMATION VASIX CORPORATION (US) 2007-04-19 WO disclosed
EP-1165064-B1 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) HOPE CITY (US) 2004-02-25 EP disclosed
US-6337350-B1 CROSSLINKING INHIBITION OF PROTEINS CITY OF HOPE 2002-01-08 US disclosed
US-5927283-A TREATING DISEASES INVOLVING OXYGEN DEFICIENCY, IN WOUND HEALING, AND IN RESTORING OXYGEN AFFINITY OF STORED BLOOD. VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-07-27 US disclosed
US-5872282-A MAINTAIN OXYGEN AFFINITY IN BLOOD WHEN STORED VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-02-16 US disclosed
US-5731454-A Allosteric modifiers of hemoglobin useful for decreasing oxygen affinity and preserving oxygen carrying capability of stored blood VIRGINIA COMMONWEALTH UNIVERSITY (US) 1998-03-24 US disclosed
US-5705521-A Use of allosteric hemoglobin modifiers in combination with radiation therapy to treat carcinogenic tumors THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1998-01-06 US disclosed
US-5677330-A THERAPY HYPOXIA, HYPOTHERMIA, ISCHEMIC, WOUNDS, ULCERS, TISSUE TRANSPLANTS, SESPIS THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1997-10-14 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 (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-20140350045-A1 PHENOXYISOBUTYRIC ACID COMPOUNDS AND METHOD OF SYNTHESIS AGER, BPGM, PDXK TDP1 3999/4885TSHR 3902/4885MAPT 1125/4885
US-20120232120-A1 AMINO ACID AMIDES OF PHENOXYBUTYRIC ACID DERIVATIVES SLC1A5, BCAT2, PAH TDP1 4301/4885TSHR 2396/4885MAPT 1190/4885
US-20140371316-A1 DERIVATIVES OF PHENOXYISOBUTYRIC ACID AGER, BPGM, FOSB TDP1 3775/4885TSHR 4142/4885MAPT 1297/4885

“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.