SCHEMBL5122828

SCHEMBL5122828

CC(C)c1cccn(CC(=O)OC(C)(C)C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ELANE P08246 2/20 0.38
FPR2 P25090 3/20 0.38
KMT2A Q03164 1/20 0.36
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GABRA1 P14867 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL15468956 0.84 KDM4E (0.46) KDM4EALDH1A1ELANEKMT2A
SCHEMBL15030294 0.81 KDM4E (0.42) HDAC6KDM4EALDH1A1ELANEFPR2
SCHEMBL5116947 0.80 ELANE (0.48) HDAC6KDM4EALDH1A1ELANEFPR2
SCHEMBL15469067 0.79 KMT2A (0.45) KDM4EALDH1A1ELANEKMT2ALMNA
SCHEMBL15468983 0.79 PTGS2 (0.39) KDM4EALDH1A1ELANEKMT2AFAAH
SCHEMBL8266056 0.79 KDM4E (0.42) HDAC6KDM4EALDH1A1FPR2KMT2A
SCHEMBL15468948 0.78 PTGS2 (0.36) ELANEKMT2AFAAHCA1CA2
SCHEMBL8266745 0.77 ALDH1A1 (0.58) HDAC6KDM4EALDH1A1KMT2ALMNA
SCHEMBL8993820 0.76 ELANE (0.52) HDAC6KDM4EALDH1A1ELANEKMT2A
SCHEMBL28254025 0.75 KDM4E (0.50) HDAC6KDM4EALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402586-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-22 US disclosed
US-20060211719-A1 Heteroaryl aminoguanidine and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-09-21 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 (1 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-20060211719-A1 Heteroaryl aminoguanidine and alkoxyguanidines and their use as protease inhibitors F9, PLG, MMP9 HDAC6 3634/4885KDM4E 2184/4885ALDH1A1 3776/4885

“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.