SCHEMBL12436525

SCHEMBL12436525

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 5/20 0.44
▸ HTR2A P28223 1/20 0.40
▸ PDF Q9HBH1 1/20 0.38
▸ MAP1LC3B Q9GZQ8 2/20 0.36
▸ SSTR3 P32745 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ FURIN P09958 2/20 0.35
▸ SIRT2 Q8IXJ6 3/20 0.33
▸ SIRT1 Q96EB6 3/20 0.33
▸ TGM2 P21980 1/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ NPY2R P49146 1/20 0.33
▸ NPY4R P50391 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ SIRT3 Q9NTG7 1/20 0.33

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
SCHEMBL17178689 1.00 FAP (0.44) FAPHTR2APDFMAP1LC3BSSTR3
SCHEMBL18391329 1.00 FAP (0.44) FAPHTR2APDFMAP1LC3BSSTR3
SCHEMBL12442419 1.00 FAP (0.44) FAPHTR2APDFMAP1LC3BSSTR3
SCHEMBL3205376 1.00 FAP (0.44) FAPHTR2APDFMAP1LC3BSSTR3
SCHEMBL3798438 1.00 FAP (0.44) FAPHTR2APDFMAP1LC3BSSTR3
SCHEMBL12441917 1.00 FAP (0.44) FAPHTR2APDFMAP1LC3BSSTR3
Water SCHEMBL30811226 0.99 FAP (0.43) FAPHTR2APDFMAP1LC3BSSTR3
SCHEMBL15189371 0.97 FAP (0.41) FAPHTR2APDFMAP1LC3BSSTR3
SCHEMBL29983999 0.96 FAP (0.41) FAPHTR2APDFSSTR3ALDH1A1
SCHEMBL23493270 0.96 HTR2A (0.43) FAPHTR2APDFMAP1LC3BSSTR3

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-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-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-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 (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 1308/4885HTR2A 3642/4885PDF 423/4885
US-20100062008-A1 monoclonal antibody conjugated with peptide drug such as dolastatin derivative DAD1, DDOST, STT3A FAP 2680/4885HTR2A 4624/4885PDF 69/4885
US-20090324621-A1 monoclonal antibody conjugated with peptide drug such as dolastatin derivative DAD1, DDOST, STT3A FAP 2680/4885HTR2A 4624/4885PDF 69/4885

“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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