SCHEMBL8203154

SCHEMBL8203154

C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@](OC)(c2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)N[C@]1(C(=O)OCC)C[C@H]1C=C

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
TGM2 P21980 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
SCHEMBL3048332 0.93 HDAC1 (0.39) HDAC1HDAC8
SCHEMBL3048338 0.93 HDAC1 (0.39) HDAC1HDAC8
SCHEMBL7859864 0.88 HDAC1 (0.35) HDAC1HDAC8
SCHEMBL8200178 0.88 CYP3A4 (0.47)
SCHEMBL7870804 0.88 HDAC1 (0.35) HDAC1HDAC8
SCHEMBL635652 0.86 HDAC1 (0.40) HDAC1HDAC8TGM2
SCHEMBL635651 0.86 HDAC1 (0.40) HDAC1HDAC8TGM2
SCHEMBL636028 0.85 HDAC1 (0.39) HDAC1HDAC8TGM2
SCHEMBL636026 0.85 HDAC1 (0.39) HDAC1HDAC8TGM2
SCHEMBL636027 0.85 HDAC1 (0.39) HDAC1HDAC8TGM2

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
EP-2086980-B1 MACROCYCLIC PEPTIDES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-12-22 EP disclosed
US-7763584-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-27 US disclosed
US-7763584-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-27 US disclosed
US-20080145334-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-06-19 US disclosed
US-20080145334-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-06-19 US disclosed
WO-2008064061-A1 MACROCYCLIC PEPTIDES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-29 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 (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-20080145334-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, VIP HDAC1 2500/4885HDAC8 2857/4885TGM2 312/4885

“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.