SCHEMBL15045573

SCHEMBL15045573

CCOC(=O)NC(CCC(F)(F)F)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 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
SCHEMBL12462456 0.84 GAA (0.36) GAA
SCHEMBL15368502 0.84 GAA (0.36) GAA
SCHEMBL12965800 0.84 LMNA (0.38) LMNAHTTSMN1; SMN2L3MBTL1CYP1A2
SCHEMBL19485855 0.83 LMNA (0.36) LMNAHTTSMN1; SMN2L3MBTL1CYP1A2
SCHEMBL15045574 0.82 SMN1; SMN2 (0.40) LMNAHTTSMN1; SMN2L3MBTL1CYP1A2
SCHEMBL12965795 0.80 CTSK (0.44) HTTCYP1A2CYP2C9CYP2C19
SCHEMBL15045581 0.80 HTT (0.35) HTTTSHR
SCHEMBL12966155 0.78 LMNA (0.41) LMNAHTTSMN1; SMN2L3MBTL1CYP1A2
SCHEMBL12462684 0.78 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EKMT2ATHRBALDH1A1
SCHEMBL31390053 0.76 CYP1A2 (0.57) HTTSMN1; SMN2L3MBTL1CYP1A2CYP2C9

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 LMNA 1245/4885HTT 511/4885SMN1; SMN2 1324/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L LMNA 705/4885HTT 728/4885SMN1; SMN2 957/4885

“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.