SCHEMBL483527

SCHEMBL483527

COc1c(C=Cc2ccc(NS(C)(=O)=O)cc2)cc(-c2c[nH]c(=O)[nH]c2=O)cc1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.63
KIF11 P52732 3/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TRPV1 Q8NER1 3/20 0.34
BRD4 O60885 1/20 0.34
DPYD Q12882 1/20 0.33
CRBN Q96SW2 1/20 0.33
PADI4 Q9UM07 1/20 0.33
PTGS2 P35354 1/20 0.33
ABL1 P00519 1/20 0.32
CYP17A1 P05093 1/20 0.32

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
SCHEMBL483525 1.00 CYP3A4 (0.63) CYP3A4KIF11ALDH1A1LMNATRPV1
SCHEMBL482574 0.92 CYP3A4 (0.75) CYP3A4ALDH1A1LMNATRPV1DPYD
SCHEMBL482573 0.92 CYP3A4 (0.75) CYP3A4ALDH1A1LMNATRPV1DPYD
SCHEMBL1764958 0.90 CYP3A4 (0.66) CYP3A4ALDH1A1LMNATRPV1BRD4
SCHEMBL2745990 0.88 CYP3A4 (0.55) CYP3A4KIF11ALDH1A1LMNATRPV1
SCHEMBL2745992 0.88 CYP3A4 (0.55) CYP3A4KIF11ALDH1A1LMNATRPV1
SCHEMBL2510672 0.87 CYP3A4 (0.54) CYP3A4KIF11ALDH1A1LMNATRPV1
SCHEMBL2510674 0.87 CYP3A4 (0.54) CYP3A4KIF11ALDH1A1LMNATRPV1
SCHEMBL1543113 0.86 CYP3A4 (0.85) CYP3A4KIF11TRPV1BRD4PADI4
SCHEMBL2128091 0.86 CYP3A4 (0.85) CYP3A4KIF11TRPV1BRD4PADI4

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 19 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 claimed
EP-2411352-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBVIE INC (US) 2017-01-18 EP claimed
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES 2016-12-22 US claimed
EP-2379534-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-10-26 EP claimed
WO-2010072598-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO claimed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 US claimed
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-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 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
EP-2379534-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
WO-2010111436-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-30 WO disclosed
WO-2010072598-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 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 (4 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 CYP3A4 1569/4885KIF11 4041/4885ALDH1A1 2957/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 CYP3A4 1569/4885KIF11 4041/4885ALDH1A1 2957/4885
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS RFC1, RRP1B, RRBP1 CYP3A4 978/4885KIF11 4269/4885ALDH1A1 938/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CYP3A4 1569/4885KIF11 4041/4885ALDH1A1 2957/4885

“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.