Sugi Predict

Sugi Predict / Compounds / SCHEMBL482270

SCHEMBL482270

SCHEMBL482270

COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc([N+](=O)[O-])cc1C(F)(F)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 1/20 0.48
▸ PLAU P00749 4/20 0.40
▸ KIF11 P52732 5/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ NR3C1 P04150 1/20 0.35
▸ AR P10275 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ FFAR4 Q5NUL3 2/20 0.34
▸ PLAT P00750 1/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 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
SCHEMBL482538 0.85 CRBN (0.52) CRBNPLAUKIF11PTGS2NR3C1
SCHEMBL896580 0.84 CRBN (0.51) CRBNPLAUKIF11PTGS2NR3C1
SCHEMBL897095 0.83 CRBN (0.45) CRBNPLAUPTGS2TP53KDM4E
SCHEMBL482637 0.80 CRBN (0.43) CRBNPLAUTP53KDM4ETDP1
SCHEMBL482629 0.77 CRBN (0.51) CRBNKIF11NR3C1ARABL1
SCHEMBL1530506 0.76 CRBN (0.82) CRBNPLAUKIF11PTGS2NR3C1
SCHEMBL2915245 0.75 CRBN (0.57) CRBNKIF11PTGS2NR3C1AR
SCHEMBL896311 0.74 CRBN (0.46) CRBNKIF11PTGS2NR3C1AR
SCHEMBL896537 0.69 CRBN (0.59) CRBNTP53TDP1
SCHEMBL482659 0.69 CRBN (0.56) CRBNKIF11NR3C1ARABL1

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 9 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
EP-2411352-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF Abbott Laboratories (US) 2012-02-01 — — EP disclosed
WO-2010111436-A2 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 (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 2389/4885PLAU 1999/4885KIF11 4041/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885PLAU 1999/4885KIF11 4041/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885PLAU 1999/4885KIF11 4041/4885

“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.