SCHEMBL3255175

SCHEMBL3255175

CC(C)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCCNC(=O)c1ccccn1)C(C)C)C(=O)c1nnc(-c2ccccc2)o1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 18/20 0.48
TAAR1 Q96RJ0 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL13299866 1.00 ELANE (0.48) ELANETAAR1HDAC3HDAC4HDAC1
SCHEMBL13299875 1.00 ELANE (0.48) ELANETAAR1HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL3249814 0.99 ELANE (0.47) ELANETAAR1HDAC3HDAC4HDAC1
SCHEMBL13299864 0.95 ELANE (0.45) ELANEHDAC3HDAC1
SCHEMBL13814743 0.93 ELANE (0.43) ELANE
SCHEMBL13299882 0.90 ELANE (0.47) ELANE
SCHEMBL13299870 0.90 ELANE (0.47) ELANE
SCHEMBL13299699 0.90 ELANE (0.47) ELANE
SCHEMBL13814745 0.89 ELANE (0.46) ELANEHDAC3HDAC4HDAC1HDAC7
SCHEMBL3255218 0.88 ELANE (0.40) ELANETAAR1HDAC3HDAC4HDAC1

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
WO-2010065461-A1 TRI-PEPTIDE INHIBITORS OF SERINE ELASTASES ACCUTHERA, INC. (US) 2010-06-10 WO disclosed
US-20090156509-A1 Tri-peptide Inhibitors of Serine Elastases ACCUTHERA, INC. (US) 2009-06-18 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-20090156509-A1 Tri-peptide Inhibitors of Serine Elastases SCTR, CTRC, SERPINB1 ELANE 4/4885TAAR1 286/4885HDAC3 216/4885

“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.