SCHEMBL94977

SCHEMBL94977

[CH2]c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
CA9 Q16790 1/20 0.68
ALDH1A1 P00352 9/20 0.65
MAPT P10636 7/20 0.65
LMNA P02545 5/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
GAA P10253 1/20 0.65
MAPK1 P28482 1/20 0.65
GFER P55789 1/20 0.65
MCL1 Q07820 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
ALOX12 P18054 1/20 0.65
HPGD P15428 1/20 0.63
FFAR1 O14842 1/20 0.59
KDM4E B2RXH2 1/20 0.59
HTT P42858 2/20 0.58
HSD17B10 Q99714 1/20 0.58

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
SCHEMBL2005010 0.90 CA12 (0.81) CA12CA1CA2CA9ALDH1A1
SCHEMBL11705580 0.85 MEN1 (0.86) CA12CA1CA2CA9ALDH1A1
SCHEMBL9001311 0.85 CA12 (0.72) CA12CA1CA2CA9ALDH1A1
SCHEMBL930602 0.81 MAPT (0.82) CA12CA1CA2CA9ALDH1A1
SCHEMBL11026205 0.81 CA12 (0.68) CA12CA1CA2CA9ALDH1A1
SCHEMBL1592808 0.81 MAPT (0.82) CA12CA1CA2CA9ALDH1A1
SCHEMBL3367872 0.81 MEN1 (0.73) CA12CA1CA2CA9ALDH1A1
SCHEMBL7565259 0.81 CA1 (0.73) CA12CA1CA2CA9ALDH1A1
SCHEMBL2136408 0.81 CES1 (0.81) CA12CA1CA2CA9ALDH1A1
SCHEMBL6831830 0.81 CA12 (0.68) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101855-B2 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2006-09-05 US claimed
US-7030114-B1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2006-04-18 US claimed
EP-1144435-B1 PYROGLUTAMIC ACID DERIVATIVES AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2006-04-12 EP claimed
EP-1612215-A1 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2006-01-04 EP claimed
US-6949570-B2 Carboxyalkyl substituted sulfonamidomethyl amides or ureas used for treatment of inflammatory diseases in a mammalian patient, e.g., human, such as asthma, Alzheimer's disease, atherosclerosis, AIDS dementia, and diabetes ELAN PHARMACEUTICALS, INC. (US) 2005-09-27 US claimed
US-20030027771-A1 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-02-06 US claimed
US-20030027850-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ASHWELL SUSAN (US) 2003-02-06 US claimed
US-6492421-B1 BINDING VERY LATE ANTIGEN-4; INFLAMMATORY DISEASES SUCH AS ASTHMA, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, AIDS, DEMENTIA, DIABETES, INFLAMMATORY BOWEL DISEASE, RHEUMATOID ARTHRITIS, TISSUE TRANSPLANTATION, TUMOR METASTASIS, MYOCARDIAL ISCHEMIA ATHENA NEUROSCIENCES, INC. 2002-12-10 US claimed
US-6436904-B1 TREATMENT OF INFLAMMATORY DISEASES IN MAMMALS ELAN PHARMACEUTICALS, INC. 2002-08-20 US claimed
US-6407066-B1 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2002-06-18 US claimed
EP-1150997-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2001-11-07 EP claimed
CN-1265668-A Substituted phenylalanine-type compounds that inhibit VLA-4 mediated leukocyte adhesion ELAND PHARMACEUTICALS CO (US) 2000-09-06 CN claimed
WO-2000043415-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 WO claimed
EP-1001972-A1 SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP claimed
EP-0994895-A1 DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-04-26 EP claimed
WO-1999006435-A1 DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
WO-1999006431-A1 SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US 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

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-20030027850-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, L1CAM CA12 1759/4885CA1 883/4885CA2 3000/4885
US-20030027771-A1 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 CA12 2334/4885CA1 418/4885CA2 2728/4885

“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.