SCHEMBL8353672

SCHEMBL8353672

O=C1CC(CCOC(=O)c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
ATM Q13315 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
F2 P00734 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
SCHEMBL18759619 0.85 TDP1 (0.61) TDP1LMNASMN1; SMN2KMT2AMAPK1
SCHEMBL14402754 0.85 TDP1 (0.61) TDP1LMNASMN1; SMN2KMT2AMAPK1
SCHEMBL3727933 0.83 TDP1 (0.50) TDP1LMNAKMT2AMAPK1HIF1A
SCHEMBL28803760 0.81 TDP1 (0.56) TDP1LMNAKMT2AMAPK1HIF1A
SCHEMBL8354427 0.78 TDP1 (0.53) TDP1LMNASMN1; SMN2KMT2AMAPK1
SCHEMBL2776358 0.78 TDP1 (0.53) TDP1LMNAKMT2AMAPK1HIF1A
SCHEMBL8470979 0.78 LMNA (0.63) TDP1LMNASMN1; SMN2KMT2AMAPK1
SCHEMBL28246554 0.78 TDP1 (0.53) TDP1LMNASMN1; SMN2KMT2AMAPK1
SCHEMBL27463287 0.77 LMNA (0.61) TDP1LMNASMN1; SMN2KMT2AMAPK1
Hydrochloric Acid SCHEMBL27944480 0.77 TDP1 (0.51) TDP1LMNASMN1; SMN2KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3781574-B1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS ASCENTAGE PHARMA SUZHOU CO LTD (CN) 2023-05-10 EP disclosed
EP-3781574-B1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS ASCENTAGE PHARMA SUZHOU CO LTD (CN) 2023-05-10 EP disclosed
US-11498928-B2 Macrocyclic spiroethers as Mcl-1 inhibitors ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2022-11-15 US disclosed
US-20210340158-A1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS ASCENTAGE PHARMA GROUP CORP LIMITED (CN) 2021-11-04 US disclosed
US-20210340158-A1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS ASCENTAGE PHARMA GROUP CORP LIMITED (CN) 2021-11-04 US disclosed
WO-2020147802-A1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2020-07-23 WO disclosed
US-20180147196-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-05-31 US disclosed
EP-3319953-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-05-16 EP disclosed
WO-2017006280-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2017-01-12 WO disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
WO-2003062265-A2 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2003-07-31 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 (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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP TDP1 3248/4885LMNA 3429/4885SMN1; SMN2 3286/4885
US-11498928-B2 Macrocyclic spiroethers as Mcl-1 inhibitors MCL1, BCL9, BCL9L TDP1 3388/4885LMNA 666/4885SMN1; SMN2 1168/4885
US-20180147196-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION TYMP, TYMS, DUT TDP1 333/4885LMNA 1688/4885SMN1; SMN2 2976/4885
US-20210340158-A1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS MCL1, BCL9, BCL9L TDP1 3388/4885LMNA 666/4885SMN1; SMN2 1168/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP TDP1 3248/4885LMNA 3429/4885SMN1; SMN2 3286/4885

“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.