SCHEMBL12435249

SCHEMBL12435249

CC(C)(C)[C@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.43
MDM4 O15151 2/20 0.43
TP53 P04637 2/20 0.43
KMT2A Q03164 2/20 0.40
TLR2 O60603 1/20 0.39

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
SCHEMBL20825662 0.86 MDM4 (0.48) CASP3MDM4TP53KMT2ATLR2
SCHEMBL178780 0.86 MDM4 (0.48) CASP3MDM4TP53KMT2ATLR2
SCHEMBL29399489 0.86 MDM4 (0.48) CASP3MDM4TP53KMT2ATLR2
SCHEMBL1405653 0.86 MDM4 (0.48) CASP3MDM4TP53KMT2ATLR2
SCHEMBL178788 0.86 MDM4 (0.48) CASP3MDM4TP53KMT2ATLR2
SCHEMBL13697519 0.86 MDM4 (0.48) CASP3MDM4TP53KMT2ATLR2
SCHEMBL29398335 0.86 MDM4 (0.48) CASP3MDM4TP53KMT2ATLR2
SCHEMBL10231780 0.86 MDM4 (0.48) CASP3MDM4TP53KMT2ATLR2
SCHEMBL178777 0.84 CASP3 (0.49) CASP3MDM4TP53KMT2ATLR2
SCHEMBL17256393 0.84 CASP3 (0.49) CASP3MDM4TP53KMT2ATLR2

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
EP-2528922-B1 POLYHETEROCYCLIC COMPOUNDS AS HCV INHIBITORS AB PHARMA LTD (CN) 2017-08-02 EP 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 CASP3 2349/4885MDM4 4184/4885TP53 2617/4885

“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.