SCHEMBL2246500

SCHEMBL2246500

NC(=O)CC[C@H](NCCCCc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.61
KMT2A Q03164 2/20 0.48
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
SIGMAR1 Q99720 6/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
FOLH1 Q04609 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL2248518 0.96 GGT1 (0.67) GGT1KMT2AMMP2MMP9LMNA
SCHEMBL3449139 0.90 GGT1 (0.55) GGT1KMT2AMMP2MMP9TSHR
SCHEMBL2246539 0.90 GGT1 (0.55) GGT1KMT2AMMP2MMP9TSHR
Hydrochloric Acid SCHEMBL23833980 0.89 GGT1 (0.53) GGT1KMT2AMMP2MMP9TSHR
Hydrochloric Acid SCHEMBL23833983 0.89 GGT1 (0.53) GGT1KMT2AMMP2MMP9TSHR
SCHEMBL2246498 0.83 LMNA (0.52) GGT1KMT2AMMP2LMNATSHR
SCHEMBL16822755 0.81 GGT1 (0.62) GGT1KMT2ALMNASIGMAR1ALDH1A1
SCHEMBL16822754 0.81 GGT1 (0.62) GGT1KMT2ALMNASIGMAR1ALDH1A1
Bromide SCHEMBL11446589 0.81 MAPT (0.60) GGT1LMNATSHRSIGMAR1TRPV1
SCHEMBL461572 0.81 KMT2A (0.54) GGT1KMT2AMMP2MMP9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6987131-B1 Phenylacetic acid compositions for treating or preventing hypercholesterolemia BURZYNSKI STANISLAW R 2006-01-17 US claimed
EP-1206936-B1 Phenylacetic acid compositions for treating or preventing hypercholesterolemia BURZYNSKI STANISLAW R (US) 2005-08-24 EP claimed
EP-1206936-A2 Phenylacetic acid compositions for treating or preventing hypercholesterolemia BURZYNSKI, Stanislaw R. (US) 2002-05-22 EP claimed
US-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2010-01-14 US disclosed
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US disclosed
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO disclosed
US-6987131-B1 Phenylacetic acid compositions for treating or preventing hypercholesterolemia BURZYNSKI STANISLAW R 2006-01-17 US disclosed
EP-1206936-B1 Phenylacetic acid compositions for treating or preventing hypercholesterolemia BURZYNSKI STANISLAW R (US) 2005-08-24 EP disclosed
EP-1206936-A2 Phenylacetic acid compositions for treating or preventing hypercholesterolemia BURZYNSKI, Stanislaw R. (US) 2002-05-22 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 (2 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-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 GGT1 115/4885KMT2A 2364/4885MMP2 49/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 GGT1 115/4885KMT2A 2364/4885MMP2 49/4885

“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.