SCHEMBL2744255

SCHEMBL2744255

C=Cc1cccc2c1CN(C(=O)O[C@@H]1C[C@@H](C(=O)OC)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.38
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38
KDM4E B2RXH2 3/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ELANE P08246 2/20 0.35
KMT2A Q03164 1/20 0.35
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 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
SCHEMBL16413340 0.88 ELANE (0.43) ELANEDDB1CRBN
SCHEMBL15213290 0.88 ELANE (0.43) ELANEDDB1CRBN
SCHEMBL2743892 0.85 KLK5 (0.34) ELANECTSKKLK5DDB1CRBN
Hydrochloric Acid SCHEMBL2743704 0.85 DPP8 (0.47) DPP8DPP9DPP7
SCHEMBL1050056 0.84 DDB1 (0.41) DDB1CRBN
SCHEMBL882048 0.84 DDB1 (0.41) DDB1CRBN
SCHEMBL2743903 0.83 DPP8 (0.37) KMT2ADPP8DPP9DPP7
SCHEMBL16418965 0.83 ABHD6 (0.34) DPP8DPP9DPP7DDB1CRBN
SCHEMBL14615804 0.83 DDB1 (0.38) DDB1CRBN
SCHEMBL8261951 0.81 CYP19A1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027144-B1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS MSD ITALIA SRL (IT) 2015-04-29 EP disclosed
US-8178520-B2 Macrocyclic compounds as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2012-05-15 US disclosed
US-20090258891-A1 Macrocyclic Compounds As Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-10-15 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-20090258891-A1 Macrocyclic Compounds As Antiviral Agents ZC3HAV1, HAVCR2, ZC3HAV1L HDAC8 659/4885HDAC3 39/4885HDAC4 591/4885

“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.