SCHEMBL7108328

SCHEMBL7108328

O=C(/C=C/c1ccccc1)OCOC(=O)CCCS

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
AKR1B10 O60218 6/20 0.51
AKR1B1 P15121 6/20 0.51
RAB9A P51151 2/20 0.47
CA12 O43570 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 3/20 0.44
APP P05067 1/20 0.44
MAOB P27338 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HDAC3 O15379 1/20 0.42
TNKS O95271 1/20 0.42

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
SCHEMBL9855964 0.84 LMNA (0.71) LMNAAKR1B10AKR1B1RAB9ACA12
SCHEMBL9855968 0.84 LMNA (0.71) LMNAAKR1B10AKR1B1RAB9ACA12
SCHEMBL6924531 0.84 AKR1B10 (0.65) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL6924534 0.84 AKR1B10 (0.65) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL6924526 0.82 LMNA (0.56) LMNAAKR1B10AKR1B1RAB9ACA12
SCHEMBL6924525 0.82 LMNA (0.56) LMNAAKR1B10AKR1B1RAB9ACA12
SCHEMBL1177750 0.80 LMNA (0.54) LMNAAKR1B10AKR1B1RAB9ACA12
SCHEMBL7631941 0.79 AKR1B10 (0.69) LMNAAKR1B10AKR1B1RAB9ACA12
SCHEMBL7631935 0.79 AKR1B10 (0.69) LMNAAKR1B10AKR1B1RAB9ACA12
SCHEMBL6926335 0.78 LMNA (0.67) LMNAAKR1B10AKR1B1RAB9ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6667341-B2 Amidomethyl esters, carbonylmercaptomethyl esters, keto-containing esters, amidomethyl thioesters, amidomethyl amides, and methylene dithioesters; anticancer agents, hemological disorders, and inherited metabolic disorders BEACON LABORATORIES, INC. 2003-12-23 US disclosed
US-20030171409-A1 Novel delta dicarbonyl compounds and methods for using the same BEACON LABORATORIES, INC, A DELAWARE CORPORATION 2003-09-11 US disclosed
US-6562995-B1 Amidomethyl esters, carbonylmercaptomethyl esters, keto-containing esters, amidomethyl thioesters, amidomethyl amides, and methylene dithioesters are disclosed. The novel compounds have two carbonyl groups connected by a linking moiety having BEACON LABORATORIES, INC. 2003-05-13 US disclosed
US-20020137775-A1 Novel delta dicarbonyl compounds and methods for using the same ERRANT GENE THERAPEUTICS, LLC 2002-09-26 US disclosed
EP-1216986-A2 Novel delta dicarbonyl compounds and methods for using same Beacon Laboratories, Inc. (US) 2002-06-26 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 (2 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-20030171409-A1 Novel delta dicarbonyl compounds and methods for using the same HCCS, CPS1, ACAA2 LMNA 2800/4885AKR1B10 213/4885AKR1B1 298/4885
US-20020137775-A1 Novel delta dicarbonyl compounds and methods for using the same HCCS, CPS1, ACAA2 LMNA 2800/4885AKR1B10 213/4885AKR1B1 298/4885

“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.