SCHEMBL2111470

SCHEMBL2111470

COc1c(C=Cc2ccc(NS(C)(=O)=O)cc2C(=O)O)cc(-n2ccncc2=O)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.42
CYP3A4 P08684 2/20 0.41
TP53 P04637 1/20 0.34
FABP4 P15090 2/20 0.33
FABP5 Q01469 2/20 0.33
CYP17A1 P05093 5/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33

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
SCHEMBL2111469 1.00 CRBN (0.42) CRBNCYP3A4TP53FABP4FABP5
SCHEMBL1347184 0.94 CRBN (0.42) CRBNCYP3A4TP53CYP17A1TUBB4A
SCHEMBL1347182 0.94 CRBN (0.42) CRBNCYP3A4TP53CYP17A1TUBB4A
SCHEMBL12990815 0.88 CRBN (0.44) CRBNCYP3A4TP53CYP17A1KDM4E
SCHEMBL12991328 0.88 CRBN (0.44) CRBNCYP3A4TP53CYP17A1TUBB4A
SCHEMBL2111465 0.87 CRBN (0.42) CRBNCYP3A4TP53CYP17A1TUBB4A
SCHEMBL2111467 0.87 CRBN (0.42) CRBNCYP3A4TP53CYP17A1TUBB4A
SCHEMBL2110073 0.87 CYP3A4 (0.54) CRBNCYP3A4TP53CYP17A1F10
SCHEMBL2110072 0.87 CYP3A4 (0.54) CRBNCYP3A4TP53CYP17A1F10
SCHEMBL2112193 0.85 CRBN (0.42) CRBNCYP3A4TP53CYP17A1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445875-A2 HETEROCYCLIC ANTIVIRAL COMPOUND F. Hoffmann-La Roche AG (CH) 2012-05-02 EP claimed
US-8158631-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-04-17 US claimed
US-20100330032-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-12-30 US claimed
WO-2010149598-A2 HETEROCYCLIC ANTIVIRAL COMPOUND F. HOFFMANN-LA ROCHE AG (CH) 2010-12-29 WO claimed

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-20100330032-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, HCCS, RTF2 CRBN 2969/4885CYP3A4 305/4885TP53 1604/4885

“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.