SCHEMBL5144433

SCHEMBL5144433

CC(C)(C)OC(=O)CCOCCOCCOCCOCCSSc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
EHMT2 Q96KQ7 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 5/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
NPC1 O15118 4/20 0.35
HPGD P15428 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 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
SCHEMBL17748162 0.87 ALDH1A1 (0.42) ALDH1A1LMNAMAPTKMT2AEHMT2
SCHEMBL17752518 0.87 ALDH1A1 (0.42) ALDH1A1LMNAMAPTKMT2AEHMT2
SCHEMBL12575473 0.83 ALDH1A1 (0.55) ALDH1A1LMNAMAPTKMT2AEHMT2
SCHEMBL906678 0.83 ALDH1A1 (0.55) ALDH1A1LMNAMAPTKMT2AEHMT2
SCHEMBL12575508 0.82 ALDH1A1 (0.40) ALDH1A1LMNAMAPTKMT2AEHMT2
SCHEMBL12575507 0.82 LMNA (0.39) ALDH1A1LMNAMAPTKMT2AEHMT2
SCHEMBL17451463 0.81 ALDH1A1 (0.56) ALDH1A1LMNAMAPTKMT2AEHMT2
SCHEMBL15907906 0.81 ALDH1A1 (0.41) ALDH1A1LMNAMAPTKMT2AEHMT2
SCHEMBL9885498 0.81 ALDH1A1 (0.33) ALDH1A1LMNAKMT2AHPGDHDAC1
SCHEMBL10326593 0.81 EHMT2 (0.55) ALDH1A1LMNAMAPTKMT2AEHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463558-B1 CYTOTOXIC AGENTS BEARING A REACTIVE POLYETHYLENE GLYCOL MOIETY, CYTOTOXIC CONJUGATES COMPRISING POLYETHYLENE GLYCOL LINKING GROUPS, AND METHODS OF MAKING AND USING THE SAME IMMUNOGEN INC (US) 2012-06-06 EP disclosed
EP-1463558-A4 CYTOTOXIC AGENTS BEARING A REACTIVE POLYETHYLENE GLYCOL MOIETY, CYTOTOXIC CONJUGATES COMPRISING POLYETHYLENE GLYCOL LINKING GROUPS, AND METHODS OF MAKING AND USING THE SAME IMMUNOGEN INC (US) 2007-10-31 EP disclosed
EP-1463558-A2 CYTOTOXIC AGENTS BEARING A REACTIVE POLYETHYLENE GLYCOL MOIETY, CYTOTOXIC CONJUGATES COMPRISING POLYETHYLENE GLYCOL LINKING GROUPS, AND METHODS OF MAKING AND USING THE SAME Immunogen, Inc. (US) 2004-10-06 EP disclosed
US-6716821-B2 Cytotoxic agents bearing a reactive polyethylene glycol moiety, cytotoxic conjugates comprising polyethylene glycol linking groups, and methods of making and using the same IMMUNOGEN INC. 2004-04-06 US disclosed
US-20040001838-A1 CYTOTOXIC AGENTS BEARING A REACTIVE POLYETHYLENE GLYCOL MOIETY, CYTOTOXIC CONJUGATES COMPRISING POLYETHYLENE GLYCOL LINKING GROUPS, AND METHODS OF MAKING AND USING THE SAME IMMUNOGEN, INC. 2004-01-01 US disclosed
WO-2003068144-A2 CYTOTOXIC AGENTS IMMUNOGEN, INC. (US) 2003-08-21 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-20040001838-A1 CYTOTOXIC AGENTS BEARING A REACTIVE POLYETHYLENE GLYCOL MOIETY, CYTOTOXIC CONJUGATES COMPRISING POLYETHYLENE GLYCOL LINKING GROUPS, AND METHODS OF MAKING AND USING THE SAME MCL1, CD47, BAX ALDH1A1 2607/4885LMNA 1897/4885MAPT 3489/4885

“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.