SCHEMBL427474

SCHEMBL427474

O=CNc1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CES1 P23141 1/20 0.36
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
CA9 Q16790 5/20 0.34
CA12 O43570 4/20 0.34
CA4 P22748 3/20 0.34
CA14 Q9ULX7 2/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
PRMT1 Q99873 1/20 0.32

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
SCHEMBL11041668 0.82 LMNA (0.62) LMNAALDH1A1KMT2AKDM4EMEN1
SCHEMBL3955572 0.82 LMNA (0.62) LMNAALDH1A1KMT2AKDM4EMEN1
SCHEMBL8537484 0.78 LMNA (0.63) LMNAALDH1A1CA1CA2CA9
SCHEMBL13940305 0.78 LMNA (0.58) LMNAALDH1A1CA1CA2CA9
SCHEMBL1414315 0.78 CA2 (0.59) LMNAALDH1A1TDP1CA1CA2
SCHEMBL2531247 0.78 LMNA (0.58) LMNAALDH1A1TDP1KMT2AKDM4E
SCHEMBL469386 0.78 ALDH1A1 (0.72) LMNAALDH1A1HSD17B10KMT2AKDM4E
SCHEMBL6407809 0.77 LMNA (0.56) LMNAALDH1A1TDP1KMT2AKDM4E
SCHEMBL11511622 0.76 ALDH1A1 (0.47) LMNAALDH1A1HSD17B10TDP1CA1
SCHEMBL651902 0.75 ALDH1A1 (0.71) LMNAALDH1A1HSD17B10TDP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054397-B1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2015-10-07 EP disclosed
EP-2420494-B1 Use of thiadiazole compounds as inhibitors of kynurenine-3-monooxygenase J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2014-10-08 EP disclosed
US-8710237-B2 Small molecule inhibitors of kynurenine-3-monooxygenase THE J. DAVID GLADSTONE INSTITUTE (US) 2014-04-29 US disclosed
US-20140073788-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds ELAN PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-20130338164-A1 Multimeric VLA-4 Antagonists Comprising Polymers Moieties ELAN PHARMACEUTICALS, INC. (US) 2013-12-19 US disclosed
US-8569426-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-8466182-B2 Small molecule inhibitors of kynurenine-3-monooxygenase THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2013-06-18 US disclosed
US-20130018187-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds ELAN PHARMACEUTICALS, INC. (US) 2013-01-17 US disclosed
US-20120329807-A1 Multimeric VLA-4 Antagonists Comprising Polymers Moieties ELAN PHARMACEUTICALS, INC. (US) 2012-12-27 US disclosed
US-8268935-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
EP-0994895-A1 DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-04-26 EP disclosed
WO-1999006437-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 WO disclosed
WO-1999006434-A1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 WO disclosed
WO-1999006433-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed
WO-1999006436-A1 BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed
WO-1999006435-A1 DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed
WO-1999006431-A1 SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed
WO-1999006432-A1 DIPEPTIDE AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed
WO-1999006390-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed
US-4379819-A OIL SOLUBLE MONOAZO DYE CIBA-GEIGY AG (CH) 1983-04-12 US 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-20140073788-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds MANBA, OAT, PIGO LMNA 1983/4885ALDH1A1 1425/4885HSD17B10 845/4885
US-20130018187-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds MANBA, OAT, PIGO LMNA 1983/4885ALDH1A1 1425/4885HSD17B10 845/4885
US-20130338164-A1 Multimeric VLA-4 Antagonists Comprising Polymers Moieties VCAM1, ICAM1, ITGB4 LMNA 3465/4885ALDH1A1 755/4885HSD17B10 3212/4885
US-20120329807-A1 Multimeric VLA-4 Antagonists Comprising Polymers Moieties VCAM1, ICAM1, ITGB4 LMNA 3465/4885ALDH1A1 755/4885HSD17B10 3212/4885

“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.