SCHEMBL15045574

SCHEMBL15045574

CCCC(NC(=O)OCC)C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
CTSK P43235 2/20 0.39
CTSS P25774 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 2/20 0.36
CAD P27708 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

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
SCHEMBL1858630 0.85 FPR2 (0.43) SMN1; SMN2MAPK1CTSKCTSSL3MBTL1
SCHEMBL12630385 0.84 CTSK (0.41) CTSKCTSSGAA
SCHEMBL12661111 0.84 CTSK (0.41) CTSKCTSSGAA
SCHEMBL890099 0.84 CTSK (0.41) CTSKCTSSGAA
SCHEMBL12966155 0.84 LMNA (0.41) SMN1; SMN2MAPK1CTSKCTSSL3MBTL1
Hydrochloric Acid SCHEMBL27527505 0.83 FPR2 (0.42) SMN1; SMN2MAPK1CTSKCTSSL3MBTL1
SCHEMBL15045573 0.82 LMNA (0.36) SMN1; SMN2MAPK1L3MBTL1LMNAALDH1A1
SCHEMBL12965798 0.81 CTSK (0.39) SMN1; SMN2MAPK1CTSKCTSSL3MBTL1
SCHEMBL27754766 0.81 FPR2 (0.41) SMN1; SMN2MAPK1CTSKCTSSL3MBTL1
SCHEMBL11955678 0.80 SIRT2 (0.42)

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 SMN1; SMN2 1324/4885MAPK1 4737/4885CTSK 3145/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L SMN1; SMN2 957/4885MAPK1 4775/4885CTSK 672/4885

“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.