SCHEMBL94878

SCHEMBL94878

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

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.68
TEAD4 Q15561 1/20 0.49
MAPK1 P28482 2/20 0.46
GSTO1 P78417 1/20 0.45
MAPK3 P27361 1/20 0.41
SRC P12931 3/20 0.40
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
EGFR P00533 1/20 0.35
MET P08581 1/20 0.35
LMNA P02545 1/20 0.34
BRD4 O60885 1/20 0.34
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL11143174 0.81 TGM2 (0.66) TGM2TEAD4MAPK1GSTO1KMT2A
SCHEMBL1424434 0.80 TGM2 (0.64) TGM2TEAD4MAPK1GSTO1KMT2A
SCHEMBL11335118 0.78 TGM2 (0.61) TGM2TEAD4MAPK1GSTO1SRC
SCHEMBL5102141 0.78 TGM2 (0.61) TGM2TEAD4MAPK1GSTO1SRC
SCHEMBL8336716 0.78 CA2 (0.62) TGM2KMT2ALMNACA1CA2
SCHEMBL11348254 0.76 TGM2 (0.59) TGM2TEAD4MAPK1GSTO1SRC
SCHEMBL3634388 0.76 KMT2A (0.59) TGM2TEAD4MAPK1KMT2ACA1
SCHEMBL3782892 0.76 TGM2 (0.59) TGM2TEAD4MAPK1GSTO1MAPK3
SCHEMBL9179590 0.76 TGM2 (0.59) TGM2TEAD4MAPK1SRCLMNA
SCHEMBL96017 0.73 KEAP1 (0.60) MAPK1LMNACA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
CN-101068810-B Carbostyril compound OTSUKA PHARMA CO LTD 2011-02-09 CN disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
CN-101068810-A Carbostyril compound OTSUKA PHARMA CO LTD (JP) 2007-11-07 CN disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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 (3 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB TGM2 3255/4885TEAD4 1520/4885MAPK1 173/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 TGM2 2975/4885TEAD4 2521/4885MAPK1 982/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 TGM2 2975/4885TEAD4 2521/4885MAPK1 982/4885

“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.