SCHEMBL12401271

SCHEMBL12401271

C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](OC(=O)N2Cc3ccc4c(c3C2)OCO4)C[C@H]1C(=O)OC

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.32
ELANE P08246 2/20 0.31
CYP19A1 P11511 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
CXCR3 P49682 2/20 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
SCHEMBL12401268 0.95 TGM2 (0.32) TGM2ELANECYP19A1HDAC8CXCR3
SCHEMBL12401267 0.94 TGM2 (0.32) TGM2ELANECYP19A1
SCHEMBL12401283 0.91 TGM2 (0.33) TGM2ELANEHDAC8CXCR3
SCHEMBL12435228 0.89 TGM2 (0.32) TGM2ELANE
SCHEMBL12401322 0.88 CYP3A4 (0.33) ELANEHDAC8
SCHEMBL12401281 0.87 TGM2 (0.33) TGM2ELANEHDAC8CXCR3
SCHEMBL12401287 0.86 ITGB3 (0.32) TGM2ELANEHDAC8
SCHEMBL15478236 0.85 CYP3A4 (0.36)
SCHEMBL12435241 0.85 CYP3A4 (0.32)
SCHEMBL12401323 0.83 CYP3A4 (0.33) ELANEHDAC8

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 990/4885ELANE 2649/4885CYP19A1 2575/4885

“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.