SCHEMBL472180

SCHEMBL472180

O=C(O)CN1CCCC1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.45
REN P00797 3/20 0.45
CYP2C19 P33261 2/20 0.45
LMNA P02545 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP1A2 P05177 1/20 0.43
KDM4E B2RXH2 1/20 0.41
F2 P00734 1/20 0.41
LTA4H P09960 1/20 0.41
MAPT P10636 1/20 0.41
PEPD P12955 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2A P28223 1/20 0.41
PTGS2 P35354 1/20 0.41
HRH1 P35367 1/20 0.41
THPO P40225 1/20 0.41
PMP22 Q01453 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL472181 1.00 ACE (0.45) ACERENCYP2C19LMNAHSD17B10
SCHEMBL5509059 0.94 SMN1; SMN2 (0.46) ACERENCYP2C19LMNAHSD17B10
SCHEMBL2177821 0.84 LMNA (0.46) ACERENCYP2C19LMNAHSD17B10
SCHEMBL6020595 0.84 CYP2C19 (0.42) ACERENCYP2C19LMNAHSD17B10
SCHEMBL9110139 0.84 LMNA (0.46) ACERENCYP2C19LMNAHSD17B10
SCHEMBL8935820 0.84 CYP2C19 (0.42) ACERENCYP2C19LMNAHSD17B10
SCHEMBL27146149 0.84 POLB (0.43) ACERENCYP2C19LMNAHSD17B10
SCHEMBL27146148 0.84 POLB (0.43) ACERENCYP2C19LMNAHSD17B10
SCHEMBL28683755 0.84 ACE (0.39) ACERENCYP2C19LMNAHSD17B10
Hydrochloric Acid SCHEMBL29025686 0.82 CYP2C19 (0.41) ACERENCYP2C19LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046713-A2 METHODS FOR PREPARING HETEROCYCLIC RINGS ISIS INNOVATION (GB) 2010-04-29 WO claimed
EP-2753702-B1 CELL-FREE PREPARATION OF CARBAPENEMS GREENLIGHT BIOSCIENCES INC (US) 2021-12-15 EP disclosed
US-20210009508-A1 Automated Synthesis of Small Molecules Using Chiral, Non-Racemic Boronates NATIONAL SCIENCE FOUNDATION 2021-01-14 US disclosed
US-10752577-B2 Automated synthesis of small molecules using chiral, non-racemic boronates THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-08-25 US disclosed
US-20190315676-A1 AUTOMATED SYNTHESIS OF SMALL MOLECULES USING CHIRAL, NON-RACEMIC BORONATES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2019-10-17 US disclosed
WO-2019182440-A1 METHOD FOR PRODUCING CELL WALL-TARGETING ANTIBIOTICS IN SUSCEPTIBLE BACTERIA TECHNISCHE UNIVERSTITEIT DELFT (NL) 2019-09-26 WO disclosed
US-10239824-B2 Automated synthesis of small molecules using chiral, non-racemic boronates THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-03-26 US disclosed
US-20180312886-A1 MICROBIAL PRODUCTION OF CHEMICAL PRODUCTS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS CARGILL INC (US) 2018-11-01 US disclosed
US-20180312887-A1 MICROBIAL PRODUCTION OF CHEMICAL PRODUCTS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS CARGILL INC (US) 2018-11-01 US disclosed
WO-2018074916-A1 METHODS FOR INCREASING PRODUCTION OF CARBAPENEM ANTIBIOTICS AND DERIVATIVES IN BACTERIA TECHNISCHE UNIVERSITEIT DELFT (NL) 2018-04-26 WO disclosed
EP-1446426-B1 PEPTIDE PURIFICATION BY MEANS OF METAL ION AFFINITY CHROMATOGRAPHY NOVO NORDISK AS (DK) 2009-01-28 EP disclosed
US-20080293917-A1 Peptide Purification By Means Of Metal Ion Affinity Chromatography NOVO NORDISK A/S (DK) 2008-11-27 US disclosed
US-7456276-B2 Peptide purification by means of metal ion affinity chromatography NOVO NORDISK A/S (DK) 2008-11-25 US disclosed
US-7250456-B2 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2007-07-31 US disclosed
US-20060287432-A1 Peptide purification by means of metal ion affinity chromatography NOVO NORDISK A/S (DK) 2006-12-21 US disclosed
US-20050148702-A1 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2005-07-07 US disclosed
EP-1470258-A1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL Ledertechnik GmbH (DE) 2004-10-27 EP disclosed
EP-1446426-A2 PEPTIDE PURIFICATION BY MEANS OF METAL ION AFFINITY CHROMATOGRAPHY NOVO NORDISK A/S (DK) 2004-08-18 EP disclosed
WO-2003064707-A1 COMPOSITIONS AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2003-08-07 WO disclosed
WO-2003042249-A2 PEPTIDE PURIFICATION BY MEANS OF METAL ION AFFINITY CHROMATOGRAPHY NOVO NORDISK A/S (DK) 2003-05-22 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 (6 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-20080293917-A1 Peptide Purification By Means Of Metal Ion Affinity Chromatography NGLY1, VIP, NPPA ACE 3181/4885REN 2569/4885CYP2C19 4863/4885
US-10752577-B2 Automated synthesis of small molecules using chiral, non-racemic boronates BTD, POLL, POLR1A ACE 837/4885REN 1984/4885CYP2C19 2078/4885
US-20190315676-A1 AUTOMATED SYNTHESIS OF SMALL MOLECULES USING CHIRAL, NON-RACEMIC BORONATES BTD, POLL, POLR1A ACE 837/4885REN 1984/4885CYP2C19 2078/4885
US-10239824-B2 Automated synthesis of small molecules using chiral, non-racemic boronates BTD, POLL, POLR1A ACE 837/4885REN 1984/4885CYP2C19 2078/4885
US-20210009508-A1 Automated Synthesis of Small Molecules Using Chiral, Non-Racemic Boronates BTD, POLL, POLR1A ACE 837/4885REN 1984/4885CYP2C19 2078/4885
US-20060287432-A1 Peptide purification by means of metal ion affinity chromatography NGLY1, VIP, NPPA ACE 3181/4885REN 2569/4885CYP2C19 4863/4885

“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.