SCHEMBL7070248

SCHEMBL7070248

CCOC(=O)[C@@H]1CC(O)CN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.67
KMT2A Q03164 5/20 0.67
LMNA P02545 2/20 0.67
MEN1 O00255 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
TSHR P16473 3/20 0.58
GAA P10253 2/20 0.51
USP2 O75604 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MMP2 P08253 1/20 0.47
ANPEP P15144 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL9685695 1.00 ALDH1A1 (0.67) ALDH1A1KMT2ALMNAMEN1L3MBTL1
SCHEMBL7070247 1.00 ALDH1A1 (0.67) ALDH1A1KMT2ALMNAMEN1L3MBTL1
SCHEMBL21551113 0.87 KMT2A (0.64) ALDH1A1KMT2ALMNAMEN1L3MBTL1
SCHEMBL8106846 0.87 KMT2A (0.64) ALDH1A1KMT2ALMNAMEN1L3MBTL1
SCHEMBL2227030 0.87 KMT2A (0.64) ALDH1A1KMT2ALMNAMEN1L3MBTL1
SCHEMBL7196323 0.86 ALDH1A1 (0.65) ALDH1A1KMT2ALMNAMEN1L3MBTL1
SCHEMBL7069016 0.86 ALDH1A1 (0.65) ALDH1A1KMT2ALMNAMEN1L3MBTL1
SCHEMBL1571210 0.83 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMEN1L3MBTL1
SCHEMBL2391096 0.83 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMEN1L3MBTL1
SCHEMBL9685718 0.83 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6586602-B2 CD antigen antagonists such as N-(methanesulfonyl)-L-prolyl-L-phenylalanine and prodrugs used as antiinflammatory agents BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-07-01 US disclosed
US-20030065193-A1 Benzyl compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-04-03 US disclosed
US-6362341-B1 ANTIINFLAMMATORY AGENTS ATHENA NEUROSCIENCES, INC. 2002-03-26 US 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 (1 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-20030065193-A1 Benzyl compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 ALDH1A1 369/4885KMT2A 1002/4885LMNA 3004/4885

“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.