SCHEMBL95378

SCHEMBL95378

[CH2]c1ccc(NS(=O)(=O)c2ccccc2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TP53 P04637 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SLC22A12 Q96S37 2/20 0.52
PTPN2 P17706 3/20 0.52
PTPN1 P18031 3/20 0.52
PTPN5 P54829 3/20 0.52
HSPD1 P10809 1/20 0.52
HSPE1 P61604 1/20 0.52
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL1040044 0.86 ALDH1A1 (0.59) ALDH1A1TP53TDP1SLC22A12PTPN2
SCHEMBL633994 0.85 ALDH1A1 (0.68) ALDH1A1TP53TDP1SLC22A12PTPN2
SCHEMBL9479365 0.83 MEN1 (0.61) ALDH1A1TP53TDP1SLC22A12PTPN2
SCHEMBL7176615 0.83 GAA (0.67) ALDH1A1TP53TDP1SLC22A12PTPN2
SCHEMBL28732270 0.83 IDH1 (0.60) ALDH1A1TP53TDP1SLC22A12EDNRA
SCHEMBL3653048 0.83 KEAP1 (0.59) ALDH1A1TP53TDP1SLC22A12PTPN2
SCHEMBL11840412 0.83 ALDH1A1 (0.56) ALDH1A1TP53TDP1SLC22A12PTPN2
SCHEMBL11131607 0.82 ALDH1A1 (0.52) ALDH1A1TP53TDP1SLC22A12PTPN2
SCHEMBL5609710 0.81 ALDH1A1 (0.58) ALDH1A1TP53TDP1SLC22A12PTPN2
SCHEMBL8752398 0.80 ALDH1A1 (0.68) ALDH1A1TP53TDP1MEN1LMNA

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 74 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
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-1999006431-A1 SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
WO-1999006435-A1 DIPEPTIDE 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
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP 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-1999006435-A1 DIPEPTIDE 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 ALDH1A1 414/4885TP53 3282/4885TDP1 4644/4885
US-20030027771-A1 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 ALDH1A1 840/4885TP53 2148/4885TDP1 2675/4885

“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.