SCHEMBL12401301

SCHEMBL12401301

C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](OC(C)=O)C[C@H]1C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC4 P56524 2/20 0.36
ITGB3 P05106 11/20 0.36
ITGA2B P08514 11/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TGM2 P21980 1/20 0.34
ELANE P08246 2/20 0.34
CTSK P43235 1/20 0.32
MMP2 P08253 1/20 0.31
ANPEP P15144 1/20 0.31

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
SCHEMBL12401298 0.92 ITGB3 (0.38) HDAC1HDAC8HDAC4ITGB3ITGA2B
SCHEMBL8026939 0.87 HDAC1 (0.41) HDAC1HDAC8HDAC4ITGB3ITGA2B
SCHEMBL10254637 0.87 HDAC1 (0.41) HDAC1HDAC8HDAC4ITGB3ITGA2B
SCHEMBL8320214 0.87 HDAC1 (0.41) HDAC1HDAC8HDAC4ITGB3ITGA2B
SCHEMBL4430070 0.87 HDAC1 (0.41) HDAC1HDAC8HDAC4ITGB3ITGA2B
SCHEMBL2610958 0.87 HDAC1 (0.41) HDAC1HDAC8HDAC4ITGB3ITGA2B
SCHEMBL1942510 0.87 HDAC1 (0.41) HDAC1HDAC8HDAC4ITGB3ITGA2B
SCHEMBL3063867 0.83 ABCB1 (0.46) ITGB3ITGA2BCTSK
SCHEMBL3812802 0.83 ABCB1 (0.46) ITGB3ITGA2BCTSK
SCHEMBL12401281 0.82 TGM2 (0.33) HDAC1HDAC8HDAC4ITGB3ITGA2B

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
US-8815796-B2 Polyheterocyclic compounds highly potent as HCV inhibitors AB Pharma Ltd. (CN) 2014-08-26 US disclosed
US-8653025-B2 Polyheterocyclic compounds highly potent as HCV inhibitors AB Pharma Ltd. (CN) 2014-02-18 US disclosed
US-20110183895-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS AB Pharma Ltd. (CN) 2011-07-28 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-20110183895-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS HAVCR2, ZC3HAV1, EIF2AK2 HDAC1 502/4885HDAC8 1361/4885HDAC4 1248/4885

“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.