SCHEMBL2904495

SCHEMBL2904495

COC(=O)CCC(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.65
LMNA P02545 3/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
DGAT1 O75907 1/20 0.44
CA12 O43570 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CA2 P00918 2/20 0.44
MEN1 O00255 1/20 0.43
STING1 Q86WV6 1/20 0.41
RECQL P46063 1/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
TET2 Q6N021 1/20 0.38

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
Hydrochloric Acid SCHEMBL28078725 0.98 TSHR (0.62) TSHRLMNAKDM4EKMT2AHSD17B10
SCHEMBL7674738 0.93 TSHR (0.56) TSHRLMNAKDM4EKMT2AHSD17B10
SCHEMBL1403588 0.91 TSHR (0.61) TSHRLMNAKDM4EKMT2AALDH1A1
SCHEMBL1233167 0.91 TSHR (0.68) TSHRLMNAKDM4EKMT2AHSD17B10
SCHEMBL644646 0.89 TSHR (0.45) TSHRALDH1A1DGAT1CA12CA14
SCHEMBL31364348 0.89 TSHR (0.58) TSHRLMNAKMT2AALDH1A1DGAT1
SCHEMBL28731518 0.89 TSHR (0.58) TSHRLMNAKMT2AALDH1A1DGAT1
SCHEMBL20151961 0.89 TSHR (0.58) TSHRLMNAKMT2AALDH1A1DGAT1
SCHEMBL3987825 0.89 TSHR (0.58) TSHRLMNAKMT2AALDH1A1DGAT1
SCHEMBL31364345 0.89 TSHR (0.58) TSHRLMNAKMT2AALDH1A1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339947-A1 USE OF CASEINOLYTIC PROTEASE P FUNCTION AS A BIOMARKER OF DRUG RESPONSE TO IMIPRIDONE-LIKE AGENTS Madera Therapeutics, LLC 2023-10-26 US disclosed
WO-2023137446-A1 PRODRUGS OF 3,4-METHYLENEDIOXY- N-ETHYL-AMPHETAMINE (MDEA) AND USES THEREOF TERRAN BIOSCIENCES INC. (US) 2023-07-20 WO disclosed
CN-105503882-B The method for preparing S1P1 receptor modulators and its crystal form 艾尼纳制药公司 2019-07-05 CN disclosed
CN-105051038-B Biaryl-propanoic derivatives and its purposes as drug 赛诺菲 2018-08-03 CN disclosed
US-10034861-B2 1H-pyrazolo[4,3-b]pyridines as PDE1 inhibitors H. LUNDBECK A/S (DK) 2018-07-31 US disclosed
EP-3083261-B1 LASER MARKABLE LAMINATES AND DOCUMENTS AGFA-GEVAERT (BE) 2018-02-21 EP disclosed
US-20180000786-A1 1H-Pyrazolo[4,3-b]pyridines as PDE1 Inhibitors H. LUNDBECK A/S (DK) 2018-01-04 US disclosed
US-9776445-B2 Colour laser markable articles AGFA-GEVAERT (BE) 2017-10-03 US disclosed
US-9776445-B2 Colour laser markable articles AGFA-GEVAERT (BE) 2017-10-03 US disclosed
US-20170275241-A1 TRANSESTERIFICATION REACTION BY MEANS OF IRON CATALYST KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2017-09-28 US disclosed
US-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPUTICS LIMITED (GB) 2004-07-01 US disclosed
EP-1358174-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
US-6610730-B2 Viricides; protease inbhibitor AGOURON PHARMACEUTICALS, INC. 2003-08-26 US disclosed
WO-2002057248-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed
US-6365572-B1 FOR THERAPY OF DISEASES RELATED TO INCREASED OR UNWANTED SYNTHESIS OF BASEMENT MEMBRANES SUCH AS DIABETES MELLITUS; ATHEROSCLEROSIS; CANCER; DIABETIC RETINOPATHIA; FIBROPLASIA RETROLENTALIS; OR PSORIASIS, RHEUMATOIC ARTHRITIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-02 US disclosed
CN-1342167-A Low molecular weight peptide derivatives as inhibitors of laminin/nidogen interaction AVENTIS PHARMA GMBH (DE) 2002-03-27 CN disclosed
EP-1157040-A1 LOW MOLECULAR WEIGHT PEPTIDE DERIVATIVES AS INHIBITORS OF THE LAMININ/NIDOGEN INTERACTION Aventis Pharma Deutschland GmbH (DE) 2001-11-28 EP disclosed
EP-1070727-A1 Low molecular weight peptide derivatives as inhibitors of the laminin/nidogen interaction Aventis Pharma Deutschland GmbH (DE) 2001-01-24 EP disclosed
WO-2000052051-A1 LOW MOLECULAR WEIGHT PEPTIDE DERIVATIVES AS INHIBITORS OF THE LAMININ/NIDOGEN INTERACTION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-09-08 WO disclosed
EP-0650970-A1 Bisketene derivatives and process for production and use thereof Tidwell, Thomas T. (CA) 1995-05-03 EP 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-10034861-B2 1H-pyrazolo[4,3-b]pyridines as PDE1 inhibitors PDE3A, PDE5A, PDE12 TSHR 2941/4885LMNA 2936/4885KDM4E 1008/4885
US-20170275241-A1 TRANSESTERIFICATION REACTION BY MEANS OF IRON CATALYST FASN, TECR, CYP4F3 TSHR 945/4885LMNA 1148/4885KDM4E 2505/4885
US-20180000786-A1 1H-Pyrazolo[4,3-b]pyridines as PDE1 Inhibitors PDE3A, PDE5A, PDE12 TSHR 2941/4885LMNA 2936/4885KDM4E 1008/4885
US-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 TSHR 3128/4885LMNA 2804/4885KDM4E 4215/4885
US-20230339947-A1 USE OF CASEINOLYTIC PROTEASE P FUNCTION AS A BIOMARKER OF DRUG RESPONSE TO IMIPRIDONE-LIKE AGENTS CLPP, PRCP, PREP TSHR 3820/4885LMNA 364/4885KDM4E 3938/4885

“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.