SCHEMBL4872782

SCHEMBL4872782

O=C(O)CC(S)(S)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
BLM P54132 2/20 0.44
CYP2D6 P10635 1/20 0.44
LMNA P02545 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
PTGS2 P35354 1/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
PGR P06401 1/20 0.38
THRB P10828 1/20 0.38
ADRB3 P13945 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL1697473 0.83 BLM (0.48) L3MBTL1SMN1; SMN2BLMCYP2D6LMNA
SCHEMBL4861916 0.80 BLM (0.46) L3MBTL1SMN1; SMN2BLMCYP2D6ALDH1A1
SCHEMBL745452 0.79 CYP2C19 (0.56) L3MBTL1SMN1; SMN2BLMCYP2D6LMNA
SCHEMBL5929556 0.79 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2BLMCYP2D6LMNA
SCHEMBL28888936 0.79 SMN1; SMN2 (0.47) L3MBTL1SMN1; SMN2BLMCYP2D6LMNA
SCHEMBL17743682 0.79 CYP2C19 (0.47) L3MBTL1SMN1; SMN2BLMCYP2D6LMNA
SCHEMBL6570728 0.79 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2BLMCYP2D6LMNA
SCHEMBL6570465 0.76 MEN1 (0.52) L3MBTL1SMN1; SMN2BLMCYP2D6LMNA
SCHEMBL9809364 0.75 HDAC6 (0.44) SMN1; SMN2
SCHEMBL5929588 0.75 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2BLMCYP2D6LMNA

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-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
US-4919927-A Using ammonium chloride SANOFI (FR) 1990-04-24 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 (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 L3MBTL1 977/4885SMN1; SMN2 2871/4885BLM 4654/4885
US-20030103985-A1 Cytotoxic CD44 antibody immunoconjugates CD44, CD47, EPCAM L3MBTL1 977/4885SMN1; SMN2 2871/4885BLM 4654/4885
US-20060127407-A1 Anti-integrin immunoconjugates, methods and uses ITGB3, ITGB5, ITGB4 L3MBTL1 3155/4885SMN1; SMN2 2872/4885BLM 3363/4885

“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.