SCHEMBL7308415

SCHEMBL7308415

CC(C)(C)OC(=O)NNC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.53
GAA P10253 2/20 0.51
ALOX5 P09917 1/20 0.50
BCL9 O00512 1/20 0.49
CTNNB1 P35222 1/20 0.49
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 2/20 0.45
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MYOC Q99972 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL18412616 0.88 MGLL (0.53) MGLLGAAALOX5BCL9CTNNB1
SCHEMBL17373926 0.87 MGLL (0.60) MGLLGAABCL9CTNNB1ALDH1A1
SCHEMBL14907652 0.85 MGLL (0.67) MGLLGAABCL9CTNNB1MAPT
SCHEMBL14907653 0.82 MGLL (0.72) MGLLGAABCL9CTNNB1ALDH1A1
SCHEMBL6816134 0.82 MEN1 (0.63) GAAALOX5ALDH1A1MAPTLMNA
SCHEMBL30685129 0.82 MGLL (0.60) MGLLGAAALOX5BCL9CTNNB1
SCHEMBL21069827 0.82 MGLL (0.60) MGLLGAAALOX5BCL9CTNNB1
SCHEMBL7068808 0.82 BCL9 (0.56) MGLLGAABCL9CTNNB1ALDH1A1
SCHEMBL6900510 0.82 GAA (0.48) MGLLGAAALOX5BCL9CTNNB1
SCHEMBL11980594 0.82 MGLL (0.60) MGLLGAABCL9CTNNB1ALDH1A1

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-20240000947-A1 POLYPEPTIDE MODIFICATION AND CONJUGATION METHODS Encodia, Inc. (US) 2024-01-04 US disclosed
US-10836720-B2 Inhibitors of integrin alpha 5 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-17 US disclosed
US-20190144386-A1 INHIBITORS OF INTEGRIN ALPHA 5 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-05-16 US disclosed
EP-0508220-B1 Derivatives of amindinophenylalanine, procedure for their preparation, their utilisation and compositions comprising them BEHRINGWERKE AG (DE) 1995-07-26 EP disclosed
US-5274098-A Amidinophenylalanine derivatives, process for their preparation, their use and compositions containing them BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1993-12-28 US disclosed
EP-0508220-A1 Derivatives of amindinophenylalanine, procedure for their preparation, their utilisation and compositions comprising them BEHRINGWERKE Aktiengesellschaft (DE) 1992-10-14 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-20190144386-A1 INHIBITORS OF INTEGRIN ALPHA 5 BETA 1 AND METHODS OF USE ITGA5, ITGB5, ITGB1 MGLL 4355/4885GAA 1580/4885ALOX5 856/4885
US-10836720-B2 Inhibitors of integrin alpha 5 beta 1 and methods of use ITGA5, ITGB5, ITGB1 MGLL 4355/4885GAA 1580/4885ALOX5 856/4885
US-20240000947-A1 POLYPEPTIDE MODIFICATION AND CONJUGATION METHODS PHAX, PTMS, DNPEP MGLL 4354/4885GAA 970/4885ALOX5 4811/4885

“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.