SCHEMBL4861916

SCHEMBL4861916

O=C(O)CCCC(S)(S)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.46
CYP2D6 P10635 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.43
TBXA2R P21731 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC3 O15379 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
HDAC4 P56524 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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 0.90 BLM (0.48) BLMCYP2D6SMN1; SMN2ALDH1A1TBXA2R
SCHEMBL4872782 0.80 L3MBTL1 (0.47) BLMCYP2D6SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL5515476 0.70 LTB4R (0.54) SMN1; SMN2ALDH1A1TBXA2RHDAC3MAPK1
SCHEMBL25345484 0.70 BLM (0.38) BLMCYP2D6SMN1; SMN2ALDH1A1TBXA2R
SCHEMBL5522710 0.69 LTB4R (0.55) SMN1; SMN2ALDH1A1TBXA2RPPARA
SCHEMBL4869921 0.69 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1CYP1A2CYP2C19ALOX15
SCHEMBL21827762 0.69 L3MBTL1 (0.39) BLMCYP2D6SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3673389 0.68 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1HDAC3MAPK1ADRA1A
SCHEMBL6687222 0.68 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1HDAC3MAPK1ADRA1A
Adipic Acid SCHEMBL29198027 0.68 NOS3 (0.59) SMN1; SMN2ALDH1A1TBXA2RL3MBTL1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1531869-A2 COMPOSITIONS AND METHODS FOR TREATING CANCER USING MAYTANSINOID CD44 ANTIBODY IMMUNOCONJUGATES AND CHEMOTHERAPEUTIC AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 2005-05-25 EP disclosed
US-20040126379-A1 Compositions and methods for treating cancer using cytotoxic CD44 antibody immunoconjugates and chemotherapeutic agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-07-01 US disclosed
US-20040120949-A1 Compositions and methods for treating cancer using cytotoxic CD44 antibody immunoconjugates and radiotherapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-06-24 US disclosed
WO-2004041307-A2 COMPOSITIONS AND METHODS FOR TREATING CANCER USING CYTOTOXIC CD44 ANTIBODY IMMUNOCONJUGATES AND RADIOTHERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-05-21 WO disclosed
EP-1417974-A1 Compositions and methods for treating cancer using cytotoxic CD44 antibody immunoconjugates and radiotherapy Boehringer Ingelheim International GmbH (DE) 2004-05-12 EP disclosed
EP-1395290-A2 CYTOTOXIC CD44 ANTIBODY IMMUNOCONJUGATES BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 2004-03-10 EP disclosed
WO-2004018000-A2 COMPOSITIONS AND METHODS FOR TREATING CANCER USING MAYTANSINOID CD44 ANTIBODY IMMONOCONJUGATES AND CHEMOTHERAPEUTIC AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-03-04 WO disclosed
EP-1391213-A1 Compositions and methods for treating cancer using maytansinoid CD44 antibody immunoconjugates and chemotherapeutic agents Boehringer Ingelheim International GmbH (DE) 2004-02-25 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 (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-20050271672-A1 Cytotoxic CD44 antibody immunoconjugates CD44, CD47, EPCAM BLM 4654/4885CYP2D6 2846/4885SMN1; SMN2 2871/4885
US-20040120949-A1 Compositions and methods for treating cancer using cytotoxic CD44 antibody immunoconjugates and radiotherapy CD44, CD47, EPCAM BLM 3498/4885CYP2D6 1760/4885SMN1; SMN2 4221/4885
US-20030103985-A1 Cytotoxic CD44 antibody immunoconjugates CD44, CD47, EPCAM BLM 4654/4885CYP2D6 2846/4885SMN1; SMN2 2871/4885
US-20040126379-A1 Compositions and methods for treating cancer using cytotoxic CD44 antibody immunoconjugates and chemotherapeutic agents CD44, EPCAM, FUT4 BLM 4775/4885CYP2D6 2000/4885SMN1; SMN2 2862/4885

“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.