SCHEMBL896580

SCHEMBL896580

COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(I)cc1C(F)(F)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.51
KIF11 P52732 5/20 0.39
NR3C1 P04150 1/20 0.37
AR P10275 1/20 0.37
TP53 P04637 1/20 0.37
PTGS2 P35354 1/20 0.36
PTK2 Q05397 2/20 0.36
PLAU P00749 3/20 0.35
KDM1A O60341 1/20 0.34
PLAT P00750 1/20 0.34
BRD4 O60885 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
CYP17A1 P05093 2/20 0.34

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
SCHEMBL482538 0.88 CRBN (0.52) CRBNKIF11NR3C1ARTP53
SCHEMBL482270 0.84 CRBN (0.48) CRBNKIF11NR3C1ARTP53
SCHEMBL482542 0.81 CRBN (0.48) CRBNKIF11TP53PTGS2PTK2
SCHEMBL482629 0.80 CRBN (0.51) CRBNKIF11NR3C1ARBRD4
SCHEMBL1530506 0.79 CRBN (0.82) CRBNKIF11NR3C1ARTP53
SCHEMBL2915245 0.78 CRBN (0.57) CRBNKIF11NR3C1ARPTGS2
SCHEMBL896823 0.78 CRBN (0.45) CRBNTP53PLAUKDM1A
SCHEMBL896311 0.77 CRBN (0.46) CRBNKIF11NR3C1ARTP53
SCHEMBL896537 0.72 CRBN (0.59) CRBNTP53KDM1A
SCHEMBL482659 0.72 CRBN (0.56) CRBNKIF11NR3C1ARBRD4

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
US-9637478-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2017-05-02 US disclosed
EP-2411352-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBVIE INC (US) 2017-01-18 EP disclosed
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES 2016-12-22 US disclosed
US-9353091-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2016-05-31 US disclosed
US-20150056164-A1 Antiviral Compounds and Uses Thereof ABBVIE INC. (US) 2015-02-26 US disclosed
US-8748443-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-10 US disclosed
US-20120082646-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-05 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 (3 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-20150056164-A1 Antiviral Compounds and Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885KIF11 4041/4885NR3C1 3304/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885KIF11 4041/4885NR3C1 3304/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885KIF11 4041/4885NR3C1 3304/4885

“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.