SCHEMBL695760

SCHEMBL695760

COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.64
ANPEP P15144 1/20 0.64
CASP3 P42574 1/20 0.59
MMP9 P14780 2/20 0.59
FKBP1A P62942 4/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 1/20 0.54

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
SCHEMBL3904609 1.00 MMP2 (0.64) MMP2ANPEPCASP3MMP9FKBP1A
SCHEMBL2769758 0.93 MMP2 (0.65) MMP2ANPEPCASP3MMP9FKBP1A
SCHEMBL7085726 0.88 CASP3 (0.58) MMP2ANPEPCASP3MMP9ALDH1A1
SCHEMBL7085725 0.88 CASP3 (0.58) MMP2ANPEPCASP3MMP9ALDH1A1
SCHEMBL20291414 0.88 BRD4 (0.66) MMP2CASP3MMP9ALDH1A1KMT2A
SCHEMBL5885922 0.87 ALDH1A1 (0.70) MMP2ANPEPCASP3ALDH1A1KMT2A
SCHEMBL5885924 0.87 ALDH1A1 (0.70) MMP2ANPEPCASP3ALDH1A1KMT2A
SCHEMBL16763211 0.86 CASP3 (0.60) MMP2ANPEPCASP3MMP9ALDH1A1
SCHEMBL21442025 0.86 LMNA (0.62) CASP3FKBP1ATDP1ALDH1A1KMT2A
SCHEMBL3115162 0.86 HCRTR1 (0.62) MMP2CASP3MMP9FKBP1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 US disclosed
EP-1778717-A4 CELL ADHESION INHIBITORS BIOGEN IDEC INC (US) 2009-01-21 EP disclosed
EP-1778717-A2 CELL ADHESION INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-02 EP disclosed
US-7196112-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2007-03-27 US disclosed
US-7196112-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2007-03-27 US disclosed
US-20070066533-A1 Cell adhesion inhibitors LEE WEN-CHERNG 2007-03-22 US disclosed
US-20060166961-A1 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-07-27 US disclosed
US-7034043-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-04-25 US disclosed
WO-2006019632-A2 CELL ADHESION INHIBITORS BIOGEN IDEC MA INC. (US) 2006-02-23 WO disclosed
US-20060014966-A1 Cell adhesion inhibitors BIOGEN IDEC MA INC. 2006-01-19 US disclosed
US-20040132809-A1 Cell adhesion inhibitors BIOGEN, INC. 2004-07-08 US disclosed
US-6630503-B1 Non-peptidic sulfonamide compounds that specifically inhibit the binding of ligands to VLA-4 for inhibition, prevention and suppression of VLA-4-mediated cell adhesion and pathologies such as inflammation and immune reactions BIOGEN, INC. 2003-10-07 US disclosed
EP-1265606-A4 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-18 EP disclosed
EP-1265606-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 2002-12-18 EP disclosed
CN-1377268-A Cell adhesion inhibitors BIOGEN INC (US) 2002-10-30 CN disclosed
WO-2001012186-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 2001-02-22 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 (5 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-20040132809-A1 Cell adhesion inhibitors VCAM1, ICAM1, EPCAM MMP2 1428/4885ANPEP 2002/4885CASP3 1655/4885
US-20070066533-A1 Cell adhesion inhibitors VCAM1, EPCAM, ICAM1 MMP2 611/4885ANPEP 770/4885CASP3 1776/4885
US-20060166961-A1 Cell adhesion inhibitors VCAM1, ICAM1, EPCAM MMP2 928/4885ANPEP 2223/4885CASP3 2169/4885
US-20060014966-A1 Cell adhesion inhibitors VCAM1, EPCAM, ICAM1 MMP2 611/4885ANPEP 770/4885CASP3 1776/4885
US-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 MMP2 1229/4885ANPEP 107/4885CASP3 2580/4885

“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.