SCHEMBL12435192

SCHEMBL12435192

CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(C=C(COC(=O)Oc2ccc([N+](=O)[O-])cc2)COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 5/20 0.38
▸ PDF Q9HBH1 1/20 0.36
▸ SSTR3 P32745 1/20 0.33
▸ FURIN P09958 9/20 0.33
▸ MAP1LC3B Q9GZQ8 2/20 0.32
▸ MGLL Q99685 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
SCHEMBL12982369 0.91 FAP (0.39) FAPFURINMAP1LC3B
SCHEMBL3205376 0.90 FAP (0.44) FAPPDFSSTR3FURINMAP1LC3B
SCHEMBL3798438 0.90 FAP (0.44) FAPPDFSSTR3FURINMAP1LC3B
SCHEMBL12442419 0.90 FAP (0.44) FAPPDFSSTR3FURINMAP1LC3B
SCHEMBL12436525 0.90 FAP (0.44) FAPPDFSSTR3FURINMAP1LC3B
SCHEMBL17178689 0.90 FAP (0.44) FAPPDFSSTR3FURINMAP1LC3B
SCHEMBL12441917 0.90 FAP (0.44) FAPPDFSSTR3FURINMAP1LC3B
SCHEMBL18391329 0.90 FAP (0.44) FAPPDFSSTR3FURINMAP1LC3B
SCHEMBL10198574 0.90 FAP (0.35) FAP
Water SCHEMBL30811226 0.89 FAP (0.43) FAPPDFSSTR3FURINMAP1LC3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2357006-B1 Drug conjugates and their use for treating cancer, an autoimmune disease or an infectious disease SEATTLE GENETICS INC (US) 2015-09-16 — — EP disclosed
EP-2353611-B1 Drug conjugates and their use for treating cancer, an autoimmune disease or an infectious disease SEATTLE GENETICS INC (US) 2015-05-13 — — 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
US-20110064753-A1 DRUG CONJUGATES AND THEIR USE FOR TREATING CANCER, AN AUTOIMMUNE DISEASE OR AN INFECTIOUS DISEASE SEATTLE GENETICS, INC. (US) 2011-03-17 — — 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-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 (3 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-20110064753-A1 DRUG CONJUGATES AND THEIR USE FOR TREATING CANCER, AN AUTOIMMUNE DISEASE OR AN INFECTIOUS DISEASE CD47, CD2, CD22 FAP 1308/4885PDF 423/4885SSTR3 788/4885
US-20100062008-A1 monoclonal antibody conjugated with peptide drug such as dolastatin derivative DAD1, DDOST, STT3A FAP 2680/4885PDF 69/4885SSTR3 1578/4885
US-20090324621-A1 monoclonal antibody conjugated with peptide drug such as dolastatin derivative DAD1, DDOST, STT3A FAP 2680/4885PDF 69/4885SSTR3 1578/4885

“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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