SCHEMBL3265348

SCHEMBL3265348

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.53
POLB P06746 1/20 0.45
ELANE P08246 9/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNH2 Q12809 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL5987819 1.00 XIAP (0.53) XIAPPOLBELANEKMT2AL3MBTL1
SCHEMBL3265303 0.92 XIAP (0.49) XIAPPOLBELANEKMT2AL3MBTL1
SCHEMBL12404590 0.92 XIAP (0.49) XIAPPOLBELANEKMT2AL3MBTL1
SCHEMBL18931650 0.91 XIAP (0.48) XIAPPOLBELANEKMT2AL3MBTL1
SCHEMBL12292177 0.91 XIAP (0.48) XIAPPOLBELANEKMT2AL3MBTL1
SCHEMBL18018530 0.89 KMT2A (0.53) XIAPKMT2AL3MBTL1
SCHEMBL13014698 0.87 ELANE (0.51) ELANEKCNH2CYP3A4CYP2C9CMA1
SCHEMBL10299169 0.87 ELANE (0.51) ELANEKCNH2CYP3A4CYP2C9CMA1
SCHEMBL5987813 0.85 KCNH2 (0.44) XIAPELANEKCNH2CYP1A2CYP3A4
SCHEMBL10299121 0.85 KCNH2 (0.44) XIAPELANEKCNH2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 US disclosed
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 US disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 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-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 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 (12 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 196/4885POLB 138/4885ELANE 986/4885
US-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885POLB 138/4885ELANE 986/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885POLB 138/4885ELANE 986/4885
US-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885POLB 138/4885ELANE 986/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885POLB 138/4885ELANE 986/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885POLB 138/4885ELANE 986/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885POLB 138/4885ELANE 986/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885POLB 138/4885ELANE 986/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885POLB 138/4885ELANE 986/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885POLB 138/4885ELANE 986/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885POLB 138/4885ELANE 986/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS XIAP 196/4885POLB 138/4885ELANE 986/4885

“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.