SCHEMBL13433609

SCHEMBL13433609

CC(C)(C)OC(=O)N1C[C@H](Oc2nccc3ccc(Br)cc23)C[C@H]1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 9/20 0.38
UCHL1 P09936 1/20 0.38
BCL2 P10415 4/20 0.36
BCL2L1 Q07817 3/20 0.36
PIK3CD O00329 2/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
CYP3A4 P08684 1/20 0.35
USP30 Q70CQ3 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34

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
SCHEMBL16418964 0.91 P2RX3 (0.42) MCL1UCHL1BCL2BCL2L1PIK3CD
SCHEMBL8227044 0.91 P2RX3 (0.42) MCL1UCHL1BCL2BCL2L1PIK3CD
SCHEMBL8176333 0.90 CYP3A4 (0.41) MCL1UCHL1BCL2BCL2L1PIK3CD
SCHEMBL1536426 0.90 CYP3A4 (0.41) MCL1UCHL1BCL2BCL2L1PIK3CD
SCHEMBL14617907 0.90 CYP3A4 (0.41) MCL1UCHL1BCL2BCL2L1PIK3CD
SCHEMBL12843503 0.89 IDO1 (0.38) UCHL1PIK3CDHCRTR1HCRTR2CYP3A4
SCHEMBL1536598 0.89 P2RX3 (0.39) MCL1UCHL1BCL2BCL2L1PIK3CD
SCHEMBL14038635 0.89 P2RX3 (0.39) MCL1UCHL1BCL2BCL2L1PIK3CD
SCHEMBL8305805 0.89 P2RX3 (0.39) MCL1UCHL1BCL2BCL2L1PIK3CD
SCHEMBL1536437 0.89 IDO1 (0.38) UCHL1PIK3CDHCRTR1HCRTR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9694086-B2 HCV protease inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-07-04 US disclosed
US-20160243249-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2016-08-25 US disclosed
US-20160235805-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2016-08-18 US disclosed
US-20160235805-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2016-08-18 US disclosed
US-9163061-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-10-20 US disclosed
US-20130131105-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-05-23 US disclosed
US-8309685-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2012-11-13 US disclosed
US-8309685-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2012-11-13 US disclosed
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-03-18 US disclosed
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-03-18 US disclosed
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-12-10 US disclosed
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-12-10 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 (5 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-20160235805-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC MCL1 2931/4885UCHL1 162/4885BCL2 3923/4885
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC MCL1 2931/4885UCHL1 162/4885BCL2 3923/4885
US-20130131105-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC MCL1 2931/4885UCHL1 162/4885BCL2 3923/4885
US-20160243249-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC MCL1 2931/4885UCHL1 162/4885BCL2 3923/4885
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC MCL1 2931/4885UCHL1 162/4885BCL2 3923/4885

“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.