SCHEMBL3485726

SCHEMBL3485726

COc1ccc(C(N)(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(O)cc2)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP5 Q01469 2/20 0.41
▸ EPHX2 P34913 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ HTT P42858 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ LPAR1 Q92633 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34

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
SCHEMBL28069714 0.93 FABP5 (0.45) FABP5EPHX2KMT2ATSHRMEN1
SCHEMBL28191790 0.89 NPC1 (0.39) FABP5KMT2ATSHRMEN1GPR55
SCHEMBL6298097 0.89 FABP5 (0.41) FABP5KMT2ATSHRMEN1GPR55
SCHEMBL8752790 0.89 NPC1 (0.41) FABP5KMT2ATSHRMEN1GPR55
SCHEMBL30679137 0.81 NPC1 (0.44) KMT2AMEN1HTTALDH1A1GAA
SCHEMBL29385536 0.81 KMT2A (0.43) FABP5KMT2ATSHRMEN1GPR55
SCHEMBL31013146 0.81 KMT2A (0.34) FABP5KMT2ATSHRMEN1GPR55
SCHEMBL29521535 0.80 MEN1 (0.49) KMT2ATSHRMEN1GPR55HTT
SCHEMBL27082137 0.80 NPC1 (0.40) FABP5KMT2ATSHRMEN1GPR55
SCHEMBL7867953 0.80 FABP5 (0.39) FABP5KMT2AGAAFABP7

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-20140031523-A1 Selective Poly-N-Substituted Glycine Antibiotics BARRON ANNELISE E (US) 2014-01-30 — — US disclosed
US-8445632-B2 Selective poly-N-substituted glycine antibiotics THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-21 — — US disclosed
US-20120295838-A1 Selective poly-substituted glycine antibiotics and related compositions BARRON ANNELISE E (US) 2012-11-22 — — US disclosed
EP-2252576-A2 SELECTIVE POLY-N-SUBSTITUTED GLYCINE ANTIBIOTICS Northwestern University (US) 2010-11-24 — — EP disclosed
US-20100036088-A1 Selective poly-N-substituted glycine antibiotics CHONGSIRIWATANA, NATHANIEL P. 2010-02-11 — — US disclosed
WO-2009105167-A2 SELECTIVE POLY-N-SUBSTITUTED GLYCINE ANTIBIOTICS NORTHWESTERN UNIVERSITY (US) 2009-08-27 — — WO 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-20100036088-A1 Selective poly-N-substituted glycine antibiotics PARG, PAM, NGLY1 FABP5 2411/4885EPHX2 4718/4885KMT2A 3272/4885
US-20140031523-A1 Selective Poly-N-Substituted Glycine Antibiotics PARG, PAM, NGLY1 FABP5 2411/4885EPHX2 4718/4885KMT2A 3272/4885

“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.

Send feedback