SCHEMBL2434824

SCHEMBL2434824

CC(C)(C)OC(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1CO

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.48
USP30 Q70CQ3 1/20 0.47
MCL1 Q07820 8/20 0.45
ABCB1 P08183 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL12021295 1.00 SRC (0.48) SRCUSP30MCL1ABCB1MEN1
SCHEMBL12021345 0.89 USP30 (0.44) SRCUSP30MCL1ABCB1
SCHEMBL1751337 0.89 USP30 (0.44) SRCUSP30MCL1ABCB1
SCHEMBL24739133 0.88 P2RX3 (0.47) SRCMCL1MEN1KMT2A
SCHEMBL12021060 0.88 USP30 (0.45) SRCUSP30MCL1ABCB1
SCHEMBL12037518 0.88 USP30 (0.45) SRCUSP30MCL1ABCB1
SCHEMBL18618199 0.88 TACR1 (0.41) SRCMCL1
SCHEMBL18618195 0.88 TACR1 (0.41) SRCMCL1
SCHEMBL15678324 0.88 MCL1 (0.48) USP30MCL1ABCB1
SCHEMBL14457266 0.88 MCL1 (0.48) USP30MCL1ABCB1

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 35 patents — showing the first 20. 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
EP-3936126-A1 COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-01-12 EP 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
US-9840464-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2017-12-12 US disclosed
US-9840464-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2017-12-12 US disclosed
EP-2534170-B1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC (CA) 2017-04-19 EP disclosed
US-20160289183-A1 IAP Binding Compounds TETRALOGIC PHARMACEUTICALS CORPORATION 2016-10-06 US disclosed
US-20160289183-A1 IAP Binding Compounds TETRALOGIC PHARMACEUTICALS CORPORATION 2016-10-06 US disclosed
US-20090048183-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2009-02-19 US disclosed
US-7456209-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2008-11-25 US disclosed
US-7456209-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2008-11-25 US disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 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 (8 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-20160289183-A1 IAP Binding Compounds BIRC5, API5, BIRC2 SRC 4127/4885USP30 803/4885MCL1 41/4885
US-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 SRC 2590/4885USP30 4522/4885MCL1 340/4885
US-20220175917-A1 COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR BIRC5, XIAP, BIRC2 SRC 2274/4885USP30 524/4885MCL1 133/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 SRC 2660/4885USP30 4484/4885MCL1 441/4885
US-20210371400-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF BIRC7, BIRC5, BIRC2 SRC 3365/4885USP30 666/4885MCL1 16/4885
US-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 SRC 1841/4885USP30 4692/4885MCL1 1983/4885
US-11358950-B2 SMAC mimetics used as IAP inhibitors and use thereof BIRC7, BIRC5, BIRC2 SRC 3365/4885USP30 666/4885MCL1 16/4885
US-20090048183-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 SRC 4024/4885USP30 858/4885MCL1 43/4885

“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.