SCHEMBL375078

SCHEMBL375078

C=CC1CC1(N)C(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ATM Q13315 1/20 0.34
GAA P10253 2/20 0.33
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.32
TRPA1 O75762 1/20 0.31
LMNA P02545 2/20 0.31
HSD17B10 Q99714 1/20 0.30
ELANE P08246 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2975294 1.00 ALDH1A1 (0.35) ALDH1A1NPSR1ATMGAAALOX15
SCHEMBL1101673 1.00 ALDH1A1 (0.35) ALDH1A1NPSR1ATMGAAALOX15
SCHEMBL374987 1.00 ALDH1A1 (0.35) ALDH1A1NPSR1ATMGAAALOX15
SCHEMBL3799193 1.00 ALDH1A1 (0.35) ALDH1A1NPSR1ATMGAAALOX15
SCHEMBL374714 1.00 ALDH1A1 (0.35) ALDH1A1NPSR1ATMGAAALOX15
SCHEMBL12463720 1.00 ALDH1A1 (0.35) ALDH1A1NPSR1ATMGAAALOX15
SCHEMBL3690265 1.00 ALDH1A1 (0.35) ALDH1A1NPSR1ATMGAAALOX15
Hydrochloric Acid SCHEMBL9985470 0.98 ALDH1A1 (0.35) ALDH1A1NPSR1ATMGAAALOX15
Hydrochloric Acid SCHEMBL374713 0.98 ALDH1A1 (0.35) ALDH1A1NPSR1ATMGAAALOX15
Hydrochloric Acid SCHEMBL6117198 0.98 ALDH1A1 (0.35) ALDH1A1NPSR1ATMGAAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109666441-A A kind of one-component reaction type polyurethane hot-melt adhesive and preparation method thereof 江苏瑞德新能源科技有限公司 2019-04-23 CN claimed
CN-105861585-A Method for splitting hepatitis c NS3 enzyme inhibitor drug intermediate through sphingomonasaquatilis 北京化工大学 2016-08-17 CN claimed
CN-102482200-A Process for preparation of optically active ethyl 1-amino-2-ethenylcyclopropanecarboxylate SUMITOMO CHEMICAL CO 2012-05-30 CN claimed
CN-109666441-B Single-component reactive polyurethane hot melt adhesive and preparation method thereof 江苏瑞德新能源科技有限公司 2021-07-09 CN disclosed
CN-105861585-B A method of hepatitis C NS3 enzyme inhibitor medicine intermediate is split using Sphingomonas 北京化工大学 2019-08-02 CN disclosed
EP-2586769-B1 METHOD FOR PRODUCING (1R, 2S)-1-AMINO-2-VINYL CYCLOPROPANE CARBOXYLIC ACID ESTER THAT HAS IMPROVED OPTICAL PURITY KANEKA CORP (JP) 2019-01-16 EP disclosed
US-10172846-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2019-01-08 US disclosed
US-9856265-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2018-01-02 US disclosed
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 US disclosed
US-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-07-13 US disclosed
US-9694086-B2 HCV protease inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-07-04 US disclosed
US-6329417-B1 RACEMATES, DIASTEREOISOMERS AND OPTICAL ISOMERS; PROTEASE INHIBITOR PEPTIDE ANALOG BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-12-11 US disclosed
US-6323180-B1 PROTEASE INHIBITORS; INHIBIT REPLICATION OF HEPATITIS C VIRUS BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2001-11-27 US disclosed
CN-1323316-A Hepatitis C tripeptide inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 2001-11-21 CN disclosed
CN-1315965-A Hepatitis C inhibitor peptides BOEHRINGER INGELHEIM CA LTD (CA) 2001-10-03 CN disclosed
US-6268207-B1 RESOLUTION OF ENANTIOMERS FROM A MIXTURE OF (1R,2S)/(1S,2S)-1-AMINO-2-VINYLCYCLOPROPYL CARBOXYLIC ACID METHYL ESTER COMPRISING THE STEP OF TREATING SAID MIXTURE WITH AN ESTERASE TO OBTAIN THE CORRESPONDING (1R,2S) ENANTIOMER BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-07-31 US disclosed
EP-1105422-A1 HEPATITIS C INHIBITOR PEPTIDES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-06-13 EP disclosed
EP-1105413-A2 HEPATITIS C INHIBITOR TRI-PEPTIDES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-06-13 EP disclosed
WO-2000009558-A1 HEPATITIS C INHIBITOR PEPTIDES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2000-02-24 WO disclosed
WO-2000009543-A2 HEPATITIS C INHIBITOR TRI-PEPTIDES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2000-02-24 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 (3 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-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS ALDH1A1 2683/4885NPSR1 1576/4885ATM 4045/4885
US-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 ALDH1A1 4292/4885NPSR1 1006/4885ATM 3874/4885
US-10172846-B2 HCV NS-3 serine protease inhibitors HPN, CPN1, PRSS1 ALDH1A1 4292/4885NPSR1 1006/4885ATM 3874/4885

“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.