SCHEMBL4869921

SCHEMBL4869921

O=C(O)CCC(S)(S)Cc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
FDPS P14324 1/20 0.46
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 1/20 0.44
PTPRA P18433 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL10411105 0.77 FDPS (0.51) SMN1; SMN2FDPSCYP1A2CYP2C19PTPRA
SCHEMBL333243 0.74 SMN1; SMN2 (0.62) SMN1; SMN2CYP1A2CYP2C19PTPRAALDH1A1
SCHEMBL29499090 0.74 SMN1; SMN2 (0.62) SMN1; SMN2CYP1A2CYP2C19PTPRAALDH1A1
SCHEMBL1697473 0.74 BLM (0.48) SMN1; SMN2ALDH1A1HPGDALOX15TDP1
Hydrochloric Acid SCHEMBL28672925 0.73 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C19PTPRAALDH1A1
Hydrochloric Acid SCHEMBL4174816 0.73 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C19PTPRAALDH1A1
SCHEMBL6638562 0.73 FDPS (0.54) SMN1; SMN2FDPSCYP1A2CYP2C19PTPRA
SCHEMBL8735900 0.73 SMN1; SMN2 (0.40) SMN1; SMN2FDPSCYP1A2CYP2C19PTPRA
SCHEMBL5052828 0.72 FDPS (0.58) SMN1; SMN2FDPSPTPRAALDH1A1ALOX15
SCHEMBL3673389 0.71 SMN1; SMN2 (0.73) SMN1; SMN2CYP1A2CYP2C19PTPRAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819359-B1 ANTI-INTEGRIN IMMUNOCONJUGATES, METHODS OF THEIR PRODUCTION AND THEIR USE JANSSEN BIOTECH INC (US) 2015-03-18 EP claimed
EP-1819359-A2 ANTI-INTEGRIN IMMUNOCONJUGATES, METHODS AND USES Centocor, Inc. (US) 2007-08-22 EP claimed
WO-2006062779-A2 ANTI-INTEGRIN IMMUNOCONJUGATES, METHODS AND USES CENTOCOR, INC. (US) 2006-06-15 WO claimed
US-20060127407-A1 Anti-integrin immunoconjugates, methods and uses JANSSEN BIOTECH, INC. 2006-06-15 US claimed
EP-1395290-A2 CYTOTOXIC CD44 ANTIBODY IMMUNOCONJUGATES BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 2004-03-10 EP claimed
WO-2002094325-A2 CYTOTOXIC CD44 ANTIBODY IMMUNOCONJUGATES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2002-11-28 WO claimed
US-7361347-B2 Cytotoxic CD44 antibody immunoconjugates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-22 US disclosed
US-20050271672-A1 Cytotoxic CD44 antibody immunoconjugates ADOLF GUENTHER 2005-12-08 US disclosed
EP-1395290-A2 CYTOTOXIC CD44 ANTIBODY IMMUNOCONJUGATES BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 2004-03-10 EP disclosed
US-20030103985-A1 Cytotoxic CD44 antibody immunoconjugates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-06-05 US disclosed
WO-2002094325-A2 CYTOTOXIC CD44 ANTIBODY IMMUNOCONJUGATES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2002-11-28 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-20050271672-A1 Cytotoxic CD44 antibody immunoconjugates CD44, CD47, EPCAM SMN1; SMN2 2871/4885FDPS 4326/4885CYP1A2 4491/4885
US-20030103985-A1 Cytotoxic CD44 antibody immunoconjugates CD44, CD47, EPCAM SMN1; SMN2 2871/4885FDPS 4326/4885CYP1A2 4491/4885
US-20060127407-A1 Anti-integrin immunoconjugates, methods and uses ITGB3, ITGB5, ITGB4 SMN1; SMN2 2872/4885FDPS 936/4885CYP1A2 4355/4885

“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.