SCHEMBL15045581

SCHEMBL15045581

CC(=O)C(CCC(F)(F)F)NC(=O)OC(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
FOLH1 Q04609 7/20 0.34
TSHR P16473 1/20 0.33
ALOX15 P16050 1/20 0.33
CTSK P43235 2/20 0.32
ACACB O00763 1/20 0.30
TACR3 P29371 1/20 0.30

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
SCHEMBL12966171 0.85 HTT (0.34) HTTFOLH1ALOX15CTSKTACR3
SCHEMBL12462456 0.84 GAA (0.36)
SCHEMBL15368502 0.84 GAA (0.36)
SCHEMBL12966149 0.81 ALOX15 (0.41) FOLH1TSHRALOX15CTSK
SCHEMBL12965795 0.80 CTSK (0.44) HTTCTSK
SCHEMBL15045573 0.80 LMNA (0.36) HTTTSHR
SCHEMBL12462684 0.78 SMN1; SMN2 (0.41) ALOX15ACACB
SCHEMBL12966151 0.77 ALOX15 (0.43) HTTFOLH1TSHRALOX15CTSK
SCHEMBL12890786 0.74 TSHR (0.37) HTTFOLH1TSHRALOX15CTSK
SCHEMBL12629961 0.72 CTSK (0.31) CTSK

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
US-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-9139569-B2 Fused tricyclic aryl compounds useful for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2015-09-22 US disclosed
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 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 (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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 HTT 511/4885FOLH1 401/4885TSHR 3711/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L HTT 728/4885FOLH1 789/4885TSHR 4735/4885

“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.