SCHEMBL2029480

SCHEMBL2029480

O=C(O)C1CCCN1Cc1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.52
▸ CD274 Q9NZQ7 10/20 0.49
▸ PDCD1 Q15116 6/20 0.49
▸ SPHK1 Q9NYA1 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CYP2C19 P33261 1/20 0.48
▸ MBTD1 Q05BQ5 1/20 0.48
▸ L3MBTL3 Q96JM7 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ POLB P06746 1/20 0.47

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
SCHEMBL27358581 1.00 CYP1A2 (0.52) CYP1A2CD274PDCD1SPHK1KDM4E
SCHEMBL1818678 1.00 CYP1A2 (0.52) CYP1A2CD274PDCD1SPHK1KDM4E
SCHEMBL31457101 0.88 SPHK1 (0.60) CD274PDCD1SPHK1KDM4ESMN1; SMN2
SCHEMBL27630427 0.86 SMN1; SMN2 (0.46) SPHK1KDM4ESMN1; SMN2TDP1MBTD1
SCHEMBL27358578 0.85 ALDH1A1 (0.52) SPHK1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL1972076 0.84 CYP1A2 (0.60) CYP1A2CD274PDCD1SPHK1SMN1; SMN2
SCHEMBL1819248 0.84 CYP1A2 (0.60) CYP1A2CD274PDCD1SPHK1SMN1; SMN2
SCHEMBL2587055 0.84 CYP1A2 (0.60) CYP1A2CD274PDCD1SPHK1SMN1; SMN2
SCHEMBL1815987 0.84 NPBWR1 (0.53) CYP1A2CD274PDCD1SPHK1KDM4E
SCHEMBL3148367 0.84 NPBWR1 (0.53) CYP1A2CD274PDCD1SPHK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220087971-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO BACH BIOSCIENCES, LLC 2022-03-24 — — US disclosed
US-10174077-B2 Method of inhibiting activity of cell surface fibroblast activation protein alpha THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2019-01-08 — — US disclosed
US-10155789-B2 Substrates and inhibitors of prolyl oligopeptidase and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2018-12-18 — — US disclosed
US-20170260231-A1 Substrates and Inhibitors of Prolyl Oligopeptidase and Methods of Use Thereof UNIV OKLAHOMA (US) 2017-09-14 — — US disclosed
US-9688722-B2 Substrates and inhibitors of prolyl oligopeptidase and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2017-06-27 — — US disclosed
US-20170066800-A1 Substrates and Inhibitors of Antiplasmin Cleaving Enzyme and Fibroblast Activation Protein and Methods of Use UNIV OKLAHOMA (US) 2017-03-09 — — US disclosed
US-9527884-B2 Substrates and inhibitors of antiplasmin cleaving enzyme and fibroblast activation protein and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2016-12-27 — — US disclosed
US-20150141660-A1 Substrates and Inhibitors of Antiplasmin Cleaving Enzyme and Fibroblast Activation Protein and Methods of Use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-21 — — US disclosed
US-20150119330-A1 SUBSTRATES AND INHIBITORS OF PROLYL OLIGOPEPTIDASE AND FIBROBLAST ACTIVATION PROTEIN AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2015-04-30 — — US disclosed
EP-2844246-A1 SUBSTRATES AND INHIBITORS OF PROLYL OLIGOPEPTIDASE AND FIBROBLAST ACTIVATION PROTEIN AND METHODS OF USE The Board of Regents of the University of Oklahoma (US) 2015-03-11 — — EP disclosed
US-8933201-B2 Substrates and inhibitors of antiplasmin cleaving enzyme and fibroblast activation protein and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2015-01-13 — — US disclosed
WO-2013166438-A1 SUBSTRATES AND INHIBITORS OF PROLYL OLIGOPEPTIDASE AND FIBROBLAST ACTIVATION PROTEIN AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2013-11-07 — — WO disclosed
US-20110144037-A1 Substrates and Inhibitors of Antiplasmin Cleaving Enzyme and Fibroblast Activation Protein and Methods of Use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2011-06-16 — — US disclosed
CN-101512338-A Substrates and inhibitors of antiplasmin cleaving enzyme and methods of use thereof MCKEE PATRICK A (US) 2009-08-19 — — CN disclosed
EP-2038653-A2 SUBSTRATES AND INHIBITORS OF ANTIPLASMIN CLEAVING ENZYME AND METHODS OF USE McKee, Patrick A. (US) 2009-03-25 — — EP disclosed
US-20080057491-A1 Substrates and inhibitors of antiplasmin cleaving enzyme and methods of use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-03-06 — — US disclosed
WO-2007146104-A2 SUBSTRATES AND INHIBITORS OF ANTIPLASMIN CLEAVING ENZYME AND METHODS OF USE MCKEE PATRICK A (US) 2007-12-21 — — WO 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 (1 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-20220087971-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO FAP, FIBP, GOT1 CYP1A2 2416/4885CD274 2533/4885PDCD1 1540/4885

“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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