SCHEMBL13401609

SCHEMBL13401609

NNC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.45
CA2 P00918 5/20 0.39
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA4 P22748 4/20 0.39
CA9 Q16790 4/20 0.39
CA14 Q9ULX7 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
PTGS1 P23219 4/20 0.34
PTGS2 P35354 4/20 0.34
GAA P10253 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL26965308 1.00 MGLL (0.45) MGLLCA2CA12CA1CA4
SCHEMBL13007049 0.99 MGLL (0.42) MGLLCA2CA12CA1CA4
SCHEMBL28722860 0.91 MGLL (0.46) MGLLSMN1; SMN2HPGDHTTPTGS1
SCHEMBL29869052 0.90 MGLL (0.55) MGLLCA2CA12CA1CA4
SCHEMBL29869032 0.90 MGLL (0.55) MGLLCA2CA12CA1CA4
SCHEMBL24621693 0.90 MGLL (0.55) MGLLCA2CA12CA1CA4
SCHEMBL10018583 0.90 MGLL (0.55) MGLLCA2CA12CA1CA4
SCHEMBL30259429 0.90 MGLL (0.55) MGLLCA2CA12CA1CA4
SCHEMBL29608026 0.90 MGLL (0.55) MGLLCA2CA12CA1CA4
SCHEMBL29441383 0.90 MGLL (0.55) MGLLCA2CA12CA1CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747021-B1 SELF-IMMOLATIVE LINKERS AND DRUG CONJUGATES SQUIBB & SONS LLC (US) 2015-09-09 EP disclosed
US-8399403-B2 drug-ligand conjugates that are potent cytotoxins; stabilized therapeutic agents and markers; exhibit high specificity of action, reduced toxicity, and improved stability in blood ; antitumors MEDAREX, INC. (US) 2013-03-19 US disclosed
US-8399403-B2 drug-ligand conjugates that are potent cytotoxins; stabilized therapeutic agents and markers; exhibit high specificity of action, reduced toxicity, and improved stability in blood ; antitumors MEDAREX, INC. (US) 2013-03-19 US disclosed
US-20100092496-A1 CHEMICAL LINKERS AND CONJUGATES THEREOF MEDAREX, INC. (US) 2010-04-15 US disclosed
US-20100092496-A1 CHEMICAL LINKERS AND CONJUGATES THEREOF MEDAREX, INC. (US) 2010-04-15 US disclosed
US-20080279868-A1 Antibody-Drug Conjugates and Methods of Use MEDAREX, INC. (US) 2008-11-13 US disclosed
US-20080279868-A1 Antibody-Drug Conjugates and Methods of Use MEDAREX, INC. (US) 2008-11-13 US disclosed
WO-2007038658-A2 ANTIBODY-DRUG CONJUGATES AND METHODS OF USE MEDAREX, INC. (US) 2007-04-05 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-20080279868-A1 Antibody-Drug Conjugates and Methods of Use CD47, ANTXR2, CD2BP2 MGLL 4151/4885CA2 4004/4885CA12 421/4885
US-20100092496-A1 CHEMICAL LINKERS AND CONJUGATES THEREOF CLSPN, CD74, ANTXR2 MGLL 4091/4885CA2 4082/4885CA12 536/4885

“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.