SCHEMBL1764324

SCHEMBL1764324

CC1(C)COc2c(-c3ccc4cc(NS(C)(=O)=O)ccc4c3)cc(-n3ccc(=O)[nH]c3=O)cc21

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.61
BRPF1 P55201 1/20 0.36
TDP2 O95551 3/20 0.34
PIP4K2A P48426 1/20 0.32
PIP4K2B P78356 1/20 0.32
BRD4 O60885 2/20 0.31
NPY5R Q15761 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL14865412 0.85 CRBN (0.44) CRBNBRPF1TDP2PIP4K2APIP4K2B
SCHEMBL1764313 0.84 CRBN (0.49) CRBNBRPF1TDP2PIP4K2APIP4K2B
SCHEMBL1764553 0.81 CRBN (0.59) CRBNBRPF1TDP2BRD4
SCHEMBL1530347 0.80 CRBN (0.79) CRBNBRPF1BRD4
SCHEMBL11994036 0.78 CRBN (0.79) CRBNBRPF1BRD4
SCHEMBL1530175 0.77 CRBN (0.77) CRBNBRPF1BRD4ALDH1A1
SCHEMBL1530499 0.77 CRBN (0.80) CRBNBRPF1BRD4
SCHEMBL1530453 0.77 CRBN (0.77) CRBNBRPF1BRD4ALDH1A1
SCHEMBL1530732 0.77 CRBN (0.77) CRBNBRPF1BRD4ALDH1A1
SCHEMBL1530434 0.77 CRBN (0.77) CRBNBRPF1BRD4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513092-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP claimed
WO-2011073114-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO claimed
US-20110123490-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2011-05-26 US claimed
US-8741914-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-03 US disclosed
US-8741914-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-03 US disclosed
US-8741914-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-03 US disclosed
EP-2421845-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LAB (US) 2013-04-17 EP disclosed
EP-2513092-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
US-20120100104-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-26 US disclosed
US-20120100104-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-26 US disclosed
US-20120100104-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-26 US disclosed
WO-2011073114-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20110123490-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2011-05-26 US disclosed
WO-2010111437-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-30 WO 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 (2 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-20120100104-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885BRPF1 3380/4885TDP2 3135/4885
US-20110123490-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS RRM2B, POLR2A, RRM2 CRBN 1400/4885BRPF1 3090/4885TDP2 3729/4885

“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.