SCHEMBL5853971

SCHEMBL5853971

[CH2]c1ccccc1N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
ALDH1A1 P00352 3/20 0.42
HTR6 P50406 2/20 0.39
C5AR1 P21730 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 1/20 0.38
HSD11B1 P28845 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PKM P14618 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37

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
SCHEMBL16550141 0.76 APOBEC3G (0.52) CYP3A4CYP2C9CYP2C19APOBEC3GALDH1A1
SCHEMBL5853978 0.76 TEAD1 (0.49) CYP3A4CYP2C9CYP2C19APOBEC3GALDH1A1
SCHEMBL5966749 0.75 KMT2A (0.36) ALDH1A1HTR6C5AR1KMT2AKEAP1
SCHEMBL8974476 0.73 ALDH1A1 (0.46) CYP3A4CYP2C9CYP2C19APOBEC3GALDH1A1
SCHEMBL21048811 0.72 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19APOBEC3GALDH1A1
SCHEMBL11576079 0.72 APOBEC3G (0.56) CYP3A4CYP2C9CYP2C19APOBEC3GALDH1A1
SCHEMBL4243059 0.69 APOBEC3G (0.58) APOBEC3GALDH1A1HTR6TDP1KMT2A
SCHEMBL29202770 0.69 APOBEC3G (0.58) APOBEC3GALDH1A1HTR6TDP1KMT2A
SCHEMBL5281575 0.68 APOBEC3G (0.52) APOBEC3GALDH1A1HTR6TDP1KMT2A
SCHEMBL7665285 0.67 ALDH1A1 (0.45) CYP3A4CYP2C9CYP2C19APOBEC3GALDH1A1

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-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US claimed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US claimed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 US claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
US-7001921-B1 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-02-21 US disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US disclosed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM CYP3A4 4841/4885CYP2C9 4763/4885CYP2C19 4720/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM CYP3A4 4841/4885CYP2C9 4763/4885CYP2C19 4720/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM CYP3A4 4841/4885CYP2C9 4763/4885CYP2C19 4720/4885

“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.