SCHEMBL4445539

SCHEMBL4445539

Cc1ccc(C(=O)ON2C(=O)CCC2=O)cc1SSc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
PKM P14618 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 2/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 1/20 0.34
RGS12 O14924 1/20 0.34
MAPT P10636 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL7112244 0.88 EHMT2 (0.35) NPC1RAB9APKMEHMT2EHMT1
SCHEMBL561821 0.88 RAB9A (0.37) NPC1RAB9AEHMT2EHMT1APOBEC3G
SCHEMBL465750 0.83 LMNA (0.37) NPC1RAB9APKMEHMT2EHMT1
SCHEMBL1888896 0.82 ALDH1A1 (0.37) NPC1RAB9APKMALDH1A1HPGD
SCHEMBL11122105 0.81 EHMT2 (0.39) NPC1RAB9AEHMT2EHMT1APOBEC3G
SCHEMBL4184231 0.80 MEN1 (0.37) NPC1RAB9AEHMT2EHMT1APOBEC3G
SCHEMBL73690 0.80 EHMT2 (0.37) NPC1RAB9AEHMT2EHMT1APOBEC3G
SCHEMBL1679370 0.78 EHMT2 (0.35) RAB9AEHMT2EHMT1APOBEC3GALDH1A1
SCHEMBL8328957 0.78 ALDH1A1 (0.39) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL29386113 0.77 MAPT (0.36) NPC1RAB9APKMEHMT2EHMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097529-A1 METHODS OF SELECTING AND PRODUCING MODIFIED TOXINS, CONJUGATES CONTAINING MODIFIED TOXINS AND USES THEREOF Osprey Pharmaceuticals USA, Inc. (US) 2009-09-09 EP claimed
WO-2008080218-A9 METHODS OF SELECTING AND PRODUCING MODIFIED TOXINS, CONJUGATES CONTAINING MODIFIED TOXINS AND USES THEREOF OSPREY PHARMACEUTICALS LTD (CA) 2008-08-28 WO claimed
WO-2008080218-A1 METHODS OF SELECTING AND PRODUCING MODIFIED TOXINS, CONJUGATES CONTAINING MODIFIED TOXINS AND USES THEREOF OSPREY PHARMACEUTICALS USA, INC. (US) 2008-07-10 WO claimed
EP-1819359-B1 ANTI-INTEGRIN IMMUNOCONJUGATES, METHODS OF THEIR PRODUCTION AND THEIR USE JANSSEN BIOTECH INC (US) 2015-03-18 EP disclosed
US-8603483-B2 Anti-integrin immunoconjugates, methods and uses JANSSEN BIOTECH, INC. (US) 2013-12-10 US disclosed
EP-1819359-A2 ANTI-INTEGRIN IMMUNOCONJUGATES, METHODS AND USES Centocor, Inc. (US) 2007-08-22 EP disclosed
WO-2006062779-A2 ANTI-INTEGRIN IMMUNOCONJUGATES, METHODS AND USES CENTOCOR, INC. (US) 2006-06-15 WO disclosed
US-20060127407-A1 Anti-integrin immunoconjugates, methods and uses JANSSEN BIOTECH, INC. 2006-06-15 US disclosed
WO-2003044179-A2 NUCLEIC ACID MOLECULES ENCODING SERINE PROTEASE 17, THE ENCODED POLYPEPTIDES AND METHODS BASED THEREON DENDREON SAN DIEGO LLC (US) 2003-05-30 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 (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-20060127407-A1 Anti-integrin immunoconjugates, methods and uses ITGB3, ITGB5, ITGB4 NPC1 3736/4885RAB9A 1354/4885PKM 3886/4885

“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.