SCHEMBL12435181

SCHEMBL12435181

COc1ccc(C(NCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCN2C(=O)C=CC2=O)C(=O)O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 7/20 0.44
▸ AKT1 P31749 1/20 0.42
▸ PTPN1 P18031 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CAPN1 P07384 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ GNPAT O15228 1/20 0.39

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
SCHEMBL12836356 0.91 FOLH1 (0.42) FOLH1AKT1
SCHEMBL12972292 0.83 GNPAT (0.46) FOLH1AKT1GNPAT
SCHEMBL10198897 0.82 SSTR3 (0.44) ALDH1A1
SCHEMBL12476075 0.78 KIF11 (0.46) MMP1GNPAT
SCHEMBL12476076 0.78 KIF11 (0.46) MMP1GNPAT
SCHEMBL12836787 0.78 SIRT5 (0.39) —
SCHEMBL5550466 0.76 FAAH (0.56) —
SCHEMBL5550460 0.76 FAAH (0.56) —
SCHEMBL29528481 0.76 FAAH (0.56) —
SCHEMBL28624192 0.75 GNPAT (0.52) AKT1GNPAT

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
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
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-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-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
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 FOLH1 638/4885AKT1 2459/4885PTPN1 3157/4885
US-20090324621-A1 monoclonal antibody conjugated with peptide drug such as dolastatin derivative DAD1, DDOST, STT3A FOLH1 638/4885AKT1 2459/4885PTPN1 3157/4885

“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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