SCHEMBL3265303

SCHEMBL3265303

CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1C(=O)NC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XIAP P98170 2/20 0.49
MMP1 P03956 3/20 0.44
MMP13 P45452 3/20 0.44
ADAM17 P78536 3/20 0.44
MMP3 P08254 2/20 0.44
POLB P06746 1/20 0.44
ELANE P08246 6/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNH2 Q12809 1/20 0.42
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
MLX Q9UH92 1/20 0.39

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
SCHEMBL12404590 1.00 XIAP (0.49) XIAPMMP1MMP13ADAM17MMP3
SCHEMBL5987819 0.92 XIAP (0.53) XIAPPOLBELANEKMT2AL3MBTL1
SCHEMBL3265348 0.92 XIAP (0.53) XIAPPOLBELANEKMT2AL3MBTL1
SCHEMBL18931650 0.89 XIAP (0.48) XIAPPOLBELANEKMT2AL3MBTL1
SCHEMBL12292177 0.89 XIAP (0.48) XIAPPOLBELANEKMT2AL3MBTL1
SCHEMBL18018530 0.88 KMT2A (0.53) XIAPKMT2AL3MBTL1
SCHEMBL5992849 0.88 ELANE (0.52) XIAPELANEKCNH2CYP3A4CYP2C9
SCHEMBL3265287 0.88 ELANE (0.52) XIAPELANEKCNH2CYP3A4CYP2C9
SCHEMBL3268486 0.85 ELANE (0.44) MMP1MMP13ADAM17MMP3ELANE
SCHEMBL3269632 0.85 ELANE (0.44) MMP1MMP13ADAM17MMP3ELANE

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
EP-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 EP disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 US disclosed
US-9394279-B2 Anti-viral compounds ABBVIE INC. (US) 2016-07-19 US disclosed
US-20150218194-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-08-06 US disclosed
US-9006387-B2 Anti-viral compounds ABBVIE INC. (US) 2015-04-14 US disclosed
US-20150087618-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-03-26 US disclosed
US-8937150-B2 Anti-viral compounds ABBVIE INC. (US) 2015-01-20 US disclosed
US-8921514-B2 Anti-viral compounds ABBVIE INC. (US) 2014-12-30 US disclosed
US-20140315792-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES 2014-10-23 US disclosed
US-20140155382-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-06-05 US disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 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 (10 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885MMP1 3845/4885MMP13 1986/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS XIAP 196/4885MMP1 3845/4885MMP13 1986/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS XIAP 196/4885MMP1 3845/4885MMP13 1986/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885MMP1 3845/4885MMP13 1986/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885MMP1 3845/4885MMP13 1986/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885MMP1 3845/4885MMP13 1986/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885MMP1 3845/4885MMP13 1986/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885MMP1 3845/4885MMP13 1986/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885MMP1 3845/4885MMP13 1986/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885MMP1 3845/4885MMP13 1986/4885

“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.