SCHEMBL12201068

SCHEMBL12201068

CCCCN(CCSSC(C)(C)CC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.42
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
NCOR2 Q9Y618 1/20 0.30

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
SCHEMBL12201066 0.87 CA14 (0.40) CA14CA12CA1CA9
SCHEMBL13897101 0.80 CA14 (0.33) CA14
SCHEMBL25969918 0.80 CA14 (0.54) CA14CA12CA1CA9MMP1
SCHEMBL15083230 0.78 CA14 (0.41) CA14HDAC1HDAC2
SCHEMBL4677852 0.78 CA14 (0.44) CA14CA12CA1CA9MMP1
SCHEMBL8285770 0.76 CA14 (0.51) CA14CA12CA1CA9MMP1
SCHEMBL15083257 0.75 CA14 (0.40) CA14HDAC3HDAC1HDAC2NCOR2
SCHEMBL14755630 0.75 CA14 (0.54) CA14CA12CA1CA9MMP1
SCHEMBL8021973 0.75 CA14 (0.54) CA14CA12CA1CA9MMP1
SCHEMBL15083136 0.75 CA14 (0.35) CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034959-B2 Methods of treating cancer with an antibody-drug conjugate MEDAREX, INC. (US) 2011-10-11 US disclosed
US-8034959-B2 Methods of treating cancer with an antibody-drug conjugate MEDAREX, INC. (US) 2011-10-11 US disclosed
US-7977465-B2 Peptidyl prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2011-07-12 US disclosed
US-7977465-B2 Peptidyl prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2011-07-12 US disclosed
US-RE41252-E1 Peptidyl prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2010-04-20 US disclosed
US-RE41252-E1 Peptidyl prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2010-04-20 US disclosed
US-20090209734-A1 PEPTIDYL PRODRUGS AND LINKERS AND STABILIZERS USEFUL THEREFOR MEDAREX, INC. (US) 2009-08-20 US disclosed
US-20090209734-A1 PEPTIDYL PRODRUGS AND LINKERS AND STABILIZERS USEFUL THEREFOR MEDAREX, INC. (US) 2009-08-20 US disclosed
US-20090175888-A1 METHODS OF TREATING CANCER WITH AN ANTIBODY-DRUG CONJUGATE MEDAREX, INC. (US) 2009-07-09 US disclosed
US-20090175888-A1 METHODS OF TREATING CANCER WITH AN ANTIBODY-DRUG CONJUGATE MEDAREX, INC. (US) 2009-07-09 US disclosed
US-7498302-B2 Disulfide prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2009-03-03 US disclosed
US-7498302-B2 Disulfide prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2009-03-03 US 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-20090175888-A1 METHODS OF TREATING CANCER WITH AN ANTIBODY-DRUG CONJUGATE PDIA5, CD38, DUT CA14 159/4885CA12 271/4885CA1 473/4885
US-20090209734-A1 PEPTIDYL PRODRUGS AND LINKERS AND STABILIZERS USEFUL THEREFOR VIP, PIN1, PDF CA14 1808/4885CA12 2158/4885CA1 2384/4885

“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.