SCHEMBL3045658

SCHEMBL3045658

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

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.68
REN P00797 4/20 0.68
LMNA P02545 2/20 0.68
HSD17B10 Q99714 2/20 0.68
KDM4E B2RXH2 1/20 0.68
F2 P00734 1/20 0.68
LTA4H P09960 1/20 0.68
MAPT P10636 1/20 0.68
PEPD P12955 1/20 0.68
ALOX15 P16050 1/20 0.68
PTGS1 P23219 1/20 0.68
HTR2A P28223 1/20 0.68
PTGS2 P35354 1/20 0.68
HRH1 P35367 1/20 0.68
THPO P40225 1/20 0.68
PMP22 Q01453 1/20 0.68
ACE2 Q9BYF1 1/20 0.68
RAB9A P51151 1/20 0.57
CYP2C19 P33261 1/20 0.50

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
SCHEMBL967588 1.00 ACE (0.68) ACERENLMNAHSD17B10KDM4E
SCHEMBL17323620 1.00 ACE (0.68) ACERENLMNAHSD17B10KDM4E
Hydrochloric Acid SCHEMBL6026723 0.98 ACE (0.66) ACERENLMNAHSD17B10KDM4E
SCHEMBL16371458 0.94 ACE (0.61) ACERENLMNAHSD17B10KDM4E
SCHEMBL17323636 0.94 ACE (0.61) ACERENLMNAHSD17B10KDM4E
SCHEMBL17323637 0.94 ACE (0.61) ACERENLMNAHSD17B10KDM4E
SCHEMBL6782714 0.89 ACE (0.68) ACERENLMNAHSD17B10KDM4E
SCHEMBL6782708 0.89 ACE (0.68) ACERENLMNAHSD17B10KDM4E
SCHEMBL19083734 0.88 ACE (0.53) ACERENLMNAHSD17B10KDM4E
SCHEMBL17323626 0.88 ACE (0.53) ACERENLMNAHSD17B10KDM4E

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101575363-B The synthetic method of Aplidine and new antitumoral derivatives and preparation and application thereof PHARMA MAR, S. A. (ES) 2016-01-27 CN claimed
EP-1294747-B1 SYNTHETIC METHODS FOR APLIDINE AND NEW ANTITUMORAL DERIVATIVES, METHODS OF MAKING AND USING THEM PHARMA MAR SA (ES) 2008-04-30 EP claimed
US-20040097413-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2004-05-20 US claimed
EP-1294747-A2 SYNTHETIC METHODS FOR APLIDINE AND NEW ANTITUMORAL DERIVATIVES, METHODS OF MAKING AND USING THEM PHARMA MAR, S.A. (ES) 2003-03-26 EP claimed
WO-2002002596-A2 SYNTHETIC METHODS FOR APLIDINE AND NEW ANTITUMORAL DERIVATIVES, METHODS OF MAKING AND USING THEM PHARMA MAR, S.A. (ES) 2002-01-10 WO claimed
JP-1246257-A None JP disclosed
US-12583835-B2 Crystal form of nitroxoline prodrug, pharmaceutical composition containing same, and preparation method therefor and application thereof JIANGSU YAHONG MEDITECH CO., LTD. (CN) 2026-03-24 US disclosed
EP-4129983-B1 CRYSTAL FORM OF NITROXOLINE PRODRUG, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF JIANGSU YAHONG MEDITECH CO LTD (CN) 2024-12-25 EP disclosed
CN-115697970-B Preparation method of aromatic ether compound 江苏亚虹医药科技股份有限公司 2024-11-15 CN disclosed
CN-115427397-B Crystal form of nitroquinoline prodrug, pharmaceutical composition containing crystal form, preparation method and application of pharmaceutical composition 江苏亚虹医药科技股份有限公司 2024-01-26 CN disclosed
US-20240016942-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-18 US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
WO-2006134591-A2 USE OF ALLYLMERCAPTOCAPTOPRIL FOR TREATING OR PREVENTING OBESITY AND OBESITY RELATED DISEASES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2006-12-21 WO disclosed
US-20040097413-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2004-05-20 US disclosed
EP-1294747-A2 SYNTHETIC METHODS FOR APLIDINE AND NEW ANTITUMORAL DERIVATIVES, METHODS OF MAKING AND USING THEM PHARMA MAR, S.A. (ES) 2003-03-26 EP disclosed
WO-2002002596-A2 SYNTHETIC METHODS FOR APLIDINE AND NEW ANTITUMORAL DERIVATIVES, METHODS OF MAKING AND USING THEM PHARMA MAR, S.A. (ES) 2002-01-10 WO disclosed
US-6156724-A Uses of didemnins as immunomodulating agents PHARMA MAR, S.A. (ES) 2000-12-05 US disclosed
US-5294603-A Pharmaceutical compositions containing didemnins THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1994-03-15 US disclosed
US-5202443-A PROCESS FOR PREPARING 1-(2S)-3-MERCAPTO-METHYL-1-OXOPROPYL)-L-PROLINE EGIS GYOGYSZERGYAR (HU) 1993-04-13 US disclosed
JP-H01246257-A PRODUCTION OF 3-THIOPROPIONIC ACID DERIVATIVE UNIV MIAMI 1989-10-02 JP 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-20040097413-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them MCL1, PML, APLNR ACE 2944/4885REN 3997/4885LMNA 2193/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS ACE 485/4885REN 2518/4885LMNA 1681/4885
US-20240016942-A1 STAT DEGRADERS AND USES THEREOF STAT4, STAT1, STAT3 ACE 206/4885REN 2661/4885LMNA 4438/4885
US-12583835-B2 Crystal form of nitroxoline prodrug, pharmaceutical composition containing same, and preparation method therefor and application thereof CYP4B1, NOTUM, CYP1B1 ACE 2053/4885REN 2266/4885LMNA 1042/4885

“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.