SCHEMBL2439746

SCHEMBL2439746

COC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.51
MCL1 Q07820 14/20 0.51
UCHL1 P09936 1/20 0.46
USP30 Q70CQ3 1/20 0.46
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
HTRA1 Q92743 1/20 0.42

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
SCHEMBL15719188 1.00 P2RX3 (0.51) P2RX3MCL1UCHL1USP30NR1H2
SCHEMBL948760 1.00 P2RX3 (0.51) P2RX3MCL1UCHL1USP30NR1H2
SCHEMBL18103660 1.00 P2RX3 (0.51) P2RX3MCL1UCHL1USP30NR1H2
SCHEMBL27112502 1.00 P2RX3 (0.51) P2RX3MCL1UCHL1USP30NR1H2
SCHEMBL948762 1.00 P2RX3 (0.51) P2RX3MCL1UCHL1USP30NR1H2
SCHEMBL3544314 0.93 MCL1 (0.59) P2RX3MCL1UCHL1
SCHEMBL7722217 0.90 MCL1 (0.50) P2RX3MCL1UCHL1NR1H2NR1H3
SCHEMBL25365111 0.89 P2RX3 (0.53) P2RX3MCL1NR1H2NR1H3
SCHEMBL6846802 0.89 P2RX3 (0.53) P2RX3MCL1UCHL1NR1H2NR1H3
SCHEMBL6846804 0.89 P2RX3 (0.53) P2RX3MCL1UCHL1NR1H2NR1H3

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
WO-2022253101-A1 PYRIDAZINONE COMPOUND AS PARP7 INHIBITOR 上海优理惠生医药有限公司 2022-12-08 WO disclosed
US-11358950-B2 SMAC mimetics used as IAP inhibitors and use thereof CHIA TAI TIANGQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-06-14 US disclosed
US-20220175917-A1 COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-06-09 US disclosed
US-20210371400-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-12-02 US disclosed
EP-3712162-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-09-23 EP disclosed
US-9969770-B2 Proline compounds as Granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2018-05-15 US disclosed
US-20170015706-A1 PROLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2017-01-19 US disclosed
US-9458193-B1 Proline compounds as Granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2016-10-04 US disclosed
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-6770741-B1 USEFUL IN TREATING CONDITIONS AND DISEASES OF A MAMMAL AND HUMAN IN WHICH AN EXCESS OF BRADYKININ OR RELATED KININS ARE PRODUCED OR INJECTED SUCH AS BY INSECT BITES SCIOS INC. 2004-08-03 US disclosed
EP-0618810-B1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC (US) 2001-07-04 EP disclosed
US-5385889-A Substitution of L-proline at the 7-position of the peptide hormone with a D-configuration hydroxyproline ether or thioether converts agonist into antagonist SCIOS NOVA INC. (US) 1995-01-31 US disclosed
EP-0618810-A4 BRADYKININ ANTAGONIST PEPTIDES. SCIOS NOVA INC (US) 1994-12-07 EP disclosed
EP-0618810-A1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC. (US) 1994-10-12 EP disclosed
WO-1992018156-A1 BRADYKININ ANTAGONIST PEPTIDES NOVA TECHNOLOGY LIMITED PARTNERSHIP (US) 1992-10-29 WO 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 (4 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-20220175917-A1 COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR BIRC5, XIAP, BIRC2 P2RX3 3591/4885MCL1 133/4885UCHL1 1397/4885
US-20210371400-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF BIRC7, BIRC5, BIRC2 P2RX3 4201/4885MCL1 16/4885UCHL1 1053/4885
US-20170015706-A1 PROLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, CTSB, RNPEP P2RX3 4517/4885MCL1 2252/4885UCHL1 3054/4885
US-11358950-B2 SMAC mimetics used as IAP inhibitors and use thereof BIRC7, BIRC5, BIRC2 P2RX3 4201/4885MCL1 16/4885UCHL1 1053/4885

“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.