SCHEMBL5368045

SCHEMBL5368045

CCCS(=O)(=O)c1nccnc1S(=O)(=O)CCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.42
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
ADRA2C P18825 2/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 4/20 0.31
GSR P00390 1/20 0.31
TXNRD1 Q16881 1/20 0.31
HPGD P15428 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
S1PR4 O95977 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL7416794 0.74 LOXL2 (0.42) LMNALOXL2KDM4EHSD17B10ADRA2C
SCHEMBL9038569 0.70 CA1 (0.42) LMNALOXL2KDM4EHSD17B10ADRA2C
SCHEMBL20570398 0.69 NFE2L2 (0.53) KDM4EHSD17B10TSHRALDH1A1HTT
SCHEMBL20368331 0.69 LOXL2 (0.37) LMNALOXL2CYP1A2CYP2C9CYP2C19
SCHEMBL6096854 0.68 KMT2A (0.53) LMNAKDM4EKMT2AMEN1TSHR
SCHEMBL5363369 0.68 LOXL2 (0.40) LMNALOXL2HSD17B10KMT2AALDH1A1
SCHEMBL16433038 0.68 GAA (0.38) KMT2ATXNRD1COMTPSIP1
SCHEMBL10634925 0.68 LMNA (0.39) LMNALOXL2KDM4EHSD17B10KMT2A
SCHEMBL10634307 0.67 LMNA (0.40) LMNALOXL2KDM4EHSD17B10KMT2A
SCHEMBL11480923 0.64 LMNA (0.36) LMNALOXL2HSD17B10KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291645-B2 Phenylalanine derivatives as alpha 4 integrin inhibitors ELAN PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-7015216-B2 Heteroaryl-β-alanine derivatives as alpha 4 integrin inhibitors ELAN PHARMACEUTICALS, INC. (US) 2006-03-21 US disclosed
US-20040127486-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors ELAN PHARMACEUTICALS, INC. 2004-07-01 US disclosed
US-6689781-B2 TREATING AN INFLAMMATORY CONDITION IN A MAMMALIAN PATIENT WHICH CONDITION IS MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. 2004-02-10 US disclosed
US-20020086882-A1 Heteroaryl-beta-alanine derivatives as alpha 4 integrin inhibitors BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2002-07-04 US disclosed
US-20020055509-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2002-05-09 US disclosed
US-20020028812-A1 Phenylalanine derivatives CELLTECH CHIROSCIENCE LIMITED (GB) 2002-03-07 US disclosed
US-6348463-B1 Phenylalanine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2002-02-19 US disclosed
WO-2002008222-A2 HETEROARYL-β-ALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2002-01-31 WO disclosed
WO-2002008206-A1 3-AMINO-2-(4-AMINOCARBONYLOXY)PHENYL-PROPIONIC ACID DERIVATIVES AS ALPHA-4- INTEGRIN INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2002-01-31 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-20020055509-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors ITGB4, ITGA4, ITGB3 LMNA 2515/4885LOXL2 1291/4885KDM4E 469/4885
US-20020086882-A1 Heteroaryl-beta-alanine derivatives as alpha 4 integrin inhibitors ITGAL, ITGB4, ITGA4 LMNA 1126/4885LOXL2 732/4885KDM4E 2953/4885
US-20020028812-A1 Phenylalanine derivatives PAH, FPR1, VCAM1 LMNA 2207/4885LOXL2 477/4885KDM4E 1423/4885
US-20040127486-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors ITGB4, ITGA4, ITGB3 LMNA 2515/4885LOXL2 1291/4885KDM4E 469/4885

“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.