SCHEMBL12401283

SCHEMBL12401283

C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](OC(=O)N2Cc3cc4c(cc3C2)OCO4)C[C@H]1C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.33
HDAC8 Q9BY41 2/20 0.32
HDAC1 Q13547 2/20 0.31
ITGB3 P05106 7/20 0.31
ITGA2B P08514 7/20 0.31
ELANE P08246 2/20 0.31
BCHE P06276 2/20 0.31
CXCR3 P49682 2/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
HDAC4 P56524 1/20 0.30

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
SCHEMBL12401281 0.96 TGM2 (0.33) TGM2HDAC8HDAC1ITGB3ITGA2B
SCHEMBL12401287 0.94 ITGB3 (0.32) TGM2HDAC8HDAC1ITGB3ITGA2B
SCHEMBL12401271 0.91 TGM2 (0.32) TGM2HDAC8ELANECXCR3
SCHEMBL12401268 0.87 TGM2 (0.32) TGM2HDAC8ELANECXCR3
SCHEMBL12401343 0.87 CYP3A4 (0.34) HDAC8HDAC1ELANEHDAC4
SCHEMBL12401267 0.86 TGM2 (0.32) TGM2ITGB3ITGA2BELANE
SCHEMBL12435231 0.85 CYP3A4 (0.33) HDAC8HDAC1HDAC4
SCHEMBL15478254 0.85 CYP3A4 (0.37) HDAC8HDAC1
SCHEMBL12435228 0.84 TGM2 (0.32) TGM2ITGB3ITGA2BELANE
SCHEMBL12401332 0.83 CYP3A4 (0.34) HDAC8HDAC1ELANEHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528922-B1 POLYHETEROCYCLIC COMPOUNDS AS HCV INHIBITORS AB PHARMA LTD (CN) 2017-08-02 EP disclosed
US-8815796-B2 Polyheterocyclic compounds highly potent as HCV inhibitors AB Pharma Ltd. (CN) 2014-08-26 US disclosed
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-8653025-B2 Polyheterocyclic compounds highly potent as HCV inhibitors AB Pharma Ltd. (CN) 2014-02-18 US disclosed
WO-2011091757-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS AB Pharma Ltd. (CN) 2011-08-04 WO 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 TGM2 990/4885HDAC8 1361/4885HDAC1 502/4885

“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.