SCHEMBL2722608

SCHEMBL2722608

CC(S)CCCC(C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.59
GABRR1 P24046 2/20 0.50
CYP1A2 P05177 1/20 0.50
LTA4H P09960 1/20 0.48
ACE2 Q9BYF1 1/20 0.45
RNPEP Q9H4A4 3/20 0.39
ENPEP Q07075 2/20 0.39
TBXAS1 P24557 2/20 0.39
CA1 P00915 1/20 0.35
FOLH1 Q04609 1/20 0.34

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
SCHEMBL5701294 0.87 GABRR1 (0.56) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL17285499 0.87 BLM (0.73) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL233225 0.87 BLM (0.73) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL16330413 0.82 BLM (0.65) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL7179523 0.82 BLM (0.65) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL6249628 0.80 BLM (0.86) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL276749 0.80 BLM (0.86) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL29082 0.80 BLM (0.64) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL6254815 0.80 BLM (0.86) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL9001608 0.79 ACE2 (0.64) BLMGABRR1CYP1A2LTA4HACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160058882-A1 CYTOTOXIC AGENTS COMPRISING NEW ANSAMITOCIN DERIVATIVES IMMUNOGEN, INC. 2016-03-03 US disclosed
US-20160058882-A1 CYTOTOXIC AGENTS COMPRISING NEW ANSAMITOCIN DERIVATIVES IMMUNOGEN, INC. 2016-03-03 US disclosed
US-9090629-B2 Cytotoxic agents comprising new ansamitocin derivatives IMMUNOGEN, INC. (US) 2015-07-28 US disclosed
US-9090629-B2 Cytotoxic agents comprising new ansamitocin derivatives IMMUNOGEN, INC. (US) 2015-07-28 US disclosed
US-20130323268-A1 CYTOTOXIC AGENTS COMPRISING NEW ANSAMITOCIN DERIVATIVES IMMUNOGEN, INC. (US) 2013-12-05 US disclosed
EP-2635301-A1 CYTOTOXIC AGENTS COMPRISING NEW ANSAMITOCIN DERIVATIVES ImmunoGen, Inc. (US) 2013-09-11 EP disclosed
WO-2012061590-A1 CYTOTOXIC AGENTS COMPRISING NEW ANSAMITOCIN DERIVATIVES IMMUNOGEN, INC. (US) 2012-05-10 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 (2 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-20130323268-A1 CYTOTOXIC AGENTS COMPRISING NEW ANSAMITOCIN DERIVATIVES MLNR, ANXA6, ANXA4 BLM 804/4885GABRR1 3945/4885CYP1A2 4327/4885
US-20160058882-A1 CYTOTOXIC AGENTS COMPRISING NEW ANSAMITOCIN DERIVATIVES MLNR, ANXA6, ANXA4 BLM 804/4885GABRR1 3945/4885CYP1A2 4327/4885

“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.