SCHEMBL96040

SCHEMBL96040

[CH2]c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.59
KCNK9 Q9NPC2 3/20 0.59
PTGS1 P23219 2/20 0.59
PTPRC P08575 1/20 0.59
LMNA P02545 2/20 0.58
GAA P10253 1/20 0.58
RXFP1 Q9HBX9 1/20 0.54
F2R P25116 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PTGES O14684 2/20 0.51
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
RECQL P46063 1/20 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
SCHEMBL5332281 0.87 KCNK3 (0.75) KCNK3KCNK9PTGS1PTPRCLMNA
SCHEMBL21022150 0.86 LMNA (0.66) KCNK3KCNK9PTGS1PTPRCLMNA
SCHEMBL2638776 0.86 PTGS1 (0.70) KCNK3KCNK9PTGS1PTPRCLMNA
SCHEMBL678924 0.84 PTGS1 (0.72) KCNK3KCNK9PTGS1PTPRCLMNA
SCHEMBL8363754 0.84 KCNK3 (0.64) KCNK3KCNK9PTGS1PTPRCLMNA
SCHEMBL3335567 0.84 KCNK3 (0.59) KCNK3KCNK9PTGS1PTPRCLMNA
SCHEMBL20601679 0.83 KCNK3 (0.66) KCNK3KCNK9PTGS1PTPRCLMNA
SCHEMBL21652266 0.82 PTGES (0.62) KCNK3KCNK9PTGS1PTPRCLMNA
SCHEMBL30791183 0.82 LMNA (0.69) KCNK3KCNK9PTGS1PTPRCLMNA
SCHEMBL12334663 0.81 RORC (0.71) KCNK3KCNK9PTGS1PTPRCLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040006093-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2004-01-08 US claimed
US-6583139-B1 Treatment of inflammatory diseases; inflammatory brain diseases such as multiple sclerosis; N-(Toluene-4-sulfonyl)-L-prolyl-4-(alpha -methylbenzyloxy)-L-phenylalanine; Very Late Antigen 4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-06-24 US claimed
CN-1265672-A Sulphonylated dipeptide Compounds capable of inhibiting leukocyte adhesion mediated by VLA-4 ELAND PHARMACEUTICALS CO (US) 2000-09-06 CN claimed
EP-0994896-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-04-26 EP claimed
WO-1999006437-A1 SULFONYLATED 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
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP 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
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
US-20040006093-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2004-01-08 US disclosed
US-6583139-B1 Treatment of inflammatory diseases; inflammatory brain diseases such as multiple sclerosis; N-(Toluene-4-sulfonyl)-L-prolyl-4-(alpha -methylbenzyloxy)-L-phenylalanine; Very Late Antigen 4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-06-24 US disclosed
CN-1265672-A Sulphonylated dipeptide Compounds capable of inhibiting leukocyte adhesion mediated by VLA-4 ELAND PHARMACEUTICALS CO (US) 2000-09-06 CN disclosed
EP-0994896-A1 SULFONYLATED 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

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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB KCNK3 2967/4885KCNK9 2367/4885PTGS1 32/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 KCNK3 3229/4885KCNK9 2912/4885PTGS1 192/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 KCNK3 3229/4885KCNK9 2912/4885PTGS1 192/4885
US-20040006093-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 KCNK3 2523/4885KCNK9 2266/4885PTGS1 641/4885

“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.