SCHEMBL10198897

SCHEMBL10198897

COc1ccc(C(NCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCN2C(=O)C=CC2=O)C(=O)Nc2ccc(COC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.44
▸ HDAC8 Q9BY41 5/20 0.39
▸ HDAC2 Q92769 5/20 0.38
▸ HDAC3 O15379 4/20 0.38
▸ HDAC4 P56524 4/20 0.38
▸ HDAC1 Q13547 4/20 0.38
▸ HDAC7 Q8WUI4 4/20 0.38
▸ HDAC10 Q969S8 4/20 0.38
▸ HDAC11 Q96DB2 4/20 0.38
▸ HDAC6 Q9UBN7 4/20 0.38
▸ HDAC9 Q9UKV0 4/20 0.38
▸ HDAC5 Q9UQL6 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CTSL P07711 2/20 0.37
▸ SIRT2 Q8IXJ6 2/20 0.35
▸ SIRT1 Q96EB6 2/20 0.35
▸ LCK P06239 1/20 0.35
▸ PSMB1 P20618 3/20 0.35

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
SCHEMBL15702064 0.90 SSTR3 (0.52) SSTR3HDAC8HDAC2HDAC3HDAC4
SCHEMBL15702069 0.89 SSTR3 (0.51) SSTR3HDAC8HDAC2HDAC3HDAC4
SCHEMBL18102693 0.87 SSTR3 (0.51) SSTR3HDAC8CTSLSIRT2SIRT1
SCHEMBL12836787 0.87 SIRT5 (0.39) HDAC8HDAC1CTSLSIRT2SIRT1
SCHEMBL16266210 0.85 SSTR3 (0.44) SSTR3CTSLPSMB1PSMB5PSMB2
SCHEMBL15702071 0.85 SSTR3 (0.45) SSTR3HDAC8HDAC2HDAC3HDAC4
SCHEMBL29649540 0.85 FOLH1 (0.45) SSTR3
SCHEMBL25361958 0.84 SSTR3 (0.50) SSTR3HDAC8CTSLSIRT2SIRT1
SCHEMBL25361946 0.84 SSTR3 (0.50) SSTR3HDAC8CTSLSIRT2SIRT1
SCHEMBL12435181 0.82 FOLH1 (0.44) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1545613-B9 AURISTATIN CONJUGATES AND THEIR USE FOR TREATING CANCER, AN AUTOIMMUNE DISEASE OR AN INFECTIOUS DISEASE SEATTLE GENETICS INC (US) 2012-01-25 — — EP disclosed
EP-2357006-A2 Drug conjugates and their use for treating cancer, an autoimmune disease or an infectious disease Seattle Genetics, Inc. (US) 2011-08-17 — — EP disclosed
EP-2353611-A2 Drug conjugates and their use for treating cancer, an autoimmune disease or an infectious disease Seattle Genetics, Inc. (US) 2011-08-10 — — EP disclosed
EP-1545613-B1 AURISTATIN CONJUGATES AND THEIR USE FOR TREATING CANCER, AN AUTOIMMUNE DISEASE OR AN INFECTIOUS DISEASE SEATTLE GENETICS INC (US) 2011-07-20 — — EP disclosed
US-7851437-B2 monoclonal antibody conjugated with peptide drug such as dolastatin derivative SEATTLE GENETICS INC. (US) 2010-12-14 — — US disclosed
US-7851437-B2 monoclonal antibody conjugated with peptide drug such as dolastatin derivative SEATTLE GENETICS INC. (US) 2010-12-14 — — US disclosed
US-7829531-B2 Drug conjugates and their use for treating cancer, an autoimmune disease or an infectious disease SEATTLE GENETICS INC. (US) 2010-11-09 — — US disclosed
US-20100062008-A1 monoclonal antibody conjugated with peptide drug such as dolastatin derivative SEATTLE GENETICS, INC. (US) 2010-03-11 — — US disclosed
US-20100062008-A1 monoclonal antibody conjugated with peptide drug such as dolastatin derivative SEATTLE GENETICS, INC. (US) 2010-03-11 — — US disclosed
US-7659241-B2 monoclonal antibody conjugated with peptide drug such as dolastatin derivative SEATTLE GENETICS, INC. (US) 2010-02-09 — — US disclosed
US-20090324621-A1 monoclonal antibody conjugated with peptide drug such as dolastatin derivative SEATTLE GENETICS, INC. (US) 2009-12-31 — — 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-20100062008-A1 monoclonal antibody conjugated with peptide drug such as dolastatin derivative DAD1, DDOST, STT3A SSTR3 1578/4885HDAC8 2257/4885HDAC2 2853/4885
US-20090324621-A1 monoclonal antibody conjugated with peptide drug such as dolastatin derivative DAD1, DDOST, STT3A SSTR3 1578/4885HDAC8 2257/4885HDAC2 2853/4885

“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.

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