SCHEMBL12401287

SCHEMBL12401287

C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](OC(=O)N2Cc3cc4c(cc3C2)OCCCO4)C[C@H]1C(=O)OC

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.32
ITGA2B P08514 8/20 0.32
TGM2 P21980 1/20 0.32
HDAC8 Q9BY41 2/20 0.31
HDAC1 Q13547 2/20 0.31
ELANE P08246 2/20 0.31
HDAC4 P56524 1/20 0.30
HDAC6 Q9UBN7 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 0.97 TGM2 (0.33) ITGB3ITGA2BTGM2HDAC8HDAC1
SCHEMBL12401283 0.94 TGM2 (0.33) ITGB3ITGA2BTGM2HDAC8HDAC1
SCHEMBL12401267 0.92 TGM2 (0.32) ITGB3ITGA2BTGM2ELANE
SCHEMBL12401268 0.89 TGM2 (0.32) TGM2HDAC8ELANE
SCHEMBL12435228 0.87 TGM2 (0.32) ITGB3ITGA2BTGM2ELANE
SCHEMBL12401328 0.87 CYP3A4 (0.34) HDAC8HDAC1HDAC4
SCHEMBL12401271 0.86 TGM2 (0.32) TGM2HDAC8ELANE
SCHEMBL15478235 0.85 CYP3A4 (0.37)
SCHEMBL12401332 0.84 CYP3A4 (0.34) HDAC8HDAC1ELANEHDAC4
SCHEMBL15478253 0.82 CYP3A4 (0.37) HDAC8HDAC1

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 ITGB3 2491/4885ITGA2B 1218/4885TGM2 990/4885

“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.