SCHEMBL503278

SCHEMBL503278

C[C@@H](Nc1ccncc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
MDM2 Q00987 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
JAK2 O60674 1/20 0.43
TYK2 P29597 1/20 0.43
ROCK2 O75116 4/20 0.42
ROCK1 Q13464 4/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BCHE P06276 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PTGS2 P35354 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 1/20 0.41
DCLK1 O15075 1/20 0.41
CHEK2 O96017 1/20 0.41
GSK3A P49840 1/20 0.41

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
SCHEMBL60777 1.00 GAA (0.47) GAAMDM2TAAR1JAK2TYK2
SCHEMBL60778 1.00 GAA (0.47) GAAMDM2TAAR1JAK2TYK2
SCHEMBL10434559 0.87 KDM4E (0.49) GAATAAR1ROCK2ROCK1KDM4E
SCHEMBL5954539 0.85 TSHR (0.58) L3MBTL1LMNA
SCHEMBL5954535 0.85 TSHR (0.58) L3MBTL1LMNA
SCHEMBL2029540 0.84 SLC7A5 (0.50) KDM4EPTGS2
SCHEMBL10434510 0.84 LMNA (0.52) GAATAAR1KDM4ELMNAHTT
SCHEMBL2028516 0.84 SLC7A5 (0.50) KDM4EPTGS2
SCHEMBL22346275 0.82 MDM2 (0.45) GAAMDM2TAAR1ROCK2ROCK1
SCHEMBL22346276 0.82 MDM2 (0.45) GAAMDM2TAAR1ROCK2ROCK1

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 167 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158445-A1 CYCLIC CELL-PENETRATING PEPTIDES WITH THREE OR MORE HYDROPHOBIC RESIDUES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-05-16 US claimed
EP-4294820-A1 CYCLIC CELL-PENETRATING PEPTIDES WITH THREE OR MORE HYDROPHOBIC RESIDUES Ohio State Innovation Foundation (US) 2023-12-27 EP claimed
WO-2022178379-A1 CYCLIC CELL-PENETRATING PEPTIDES WITH THREE OR MORE HYDROPHOBIC RESIDUES OHIO STATE INNOVATION FOUNDATION (US) 2022-08-25 WO claimed
US-8778871-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US claimed
US-20110212890-A1 METASTIN DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-01 US claimed
US-20110118172-A1 METASTIN DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US claimed
EP-2314609-A1 METASTIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-04-27 EP claimed
US-20110059888-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-10 US claimed
EP-2277900-A1 METASTIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-26 EP claimed
US-20090298765-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-03 US claimed
EP-2113513-A2 Metastin derivatives and use thereof Takeda Pharmaceutical Company Limited (JP) 2009-11-04 EP claimed
US-20090215700-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-27 US claimed
EP-2081955-A1 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-29 EP claimed
US-20080312155-A1 Metastin Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US claimed
WO-2008050897-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO claimed
EP-1758932-A2 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-03-07 EP claimed
WO-2006001499-A2 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 WO claimed
US-20260125426-A1 CYCLIC CELL-PENETRATING PEPTIDES AND USES THEREOF OHIO STATE INNOVATION FOUNDATION (US) 2026-05-07 US disclosed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP disclosed
EP-0301850-A2 LHRH antagonist analogs and 19-nor-progestational steroids for therapy SYNTEX (U.S.A.) INC. (US) 1989-02-01 EP 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 (8 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-20090215700-A1 Metastin derivatives and use thereof SHBG, GNRHR, INHA GAA 2465/4885MDM2 172/4885TAAR1 4595/4885
US-20080312155-A1 Metastin Derivatives and Use Thereof GNRHR, SHBG, MEN1 GAA 2159/4885MDM2 104/4885TAAR1 4661/4885
US-20110059888-A1 METASTIN DERIVATIVES AND USE THEREOF SHBG, GNRHR, INHA GAA 2465/4885MDM2 172/4885TAAR1 4595/4885
US-20260125426-A1 CYCLIC CELL-PENETRATING PEPTIDES AND USES THEREOF SLC7A1, TAP1, SLC7A5 GAA 4386/4885MDM2 3495/4885TAAR1 1663/4885
US-20110118172-A1 METASTIN DERIVATIVE AND USE THEREOF GNRHR, SHBG, INHA GAA 1613/4885MDM2 246/4885TAAR1 4794/4885
US-20090298765-A1 Metastin derivatives and use thereof GNRHR, SHBG, MEN1 GAA 2159/4885MDM2 104/4885TAAR1 4661/4885
US-20110212890-A1 METASTIN DERIVATIVE AND USE THEREOF GNRHR, SHBG, LHCGR GAA 974/4885MDM2 308/4885TAAR1 4628/4885
US-20240158445-A1 CYCLIC CELL-PENETRATING PEPTIDES WITH THREE OR MORE HYDROPHOBIC RESIDUES SLC3A2, SLC7A1, ARGLU1 GAA 2356/4885MDM2 4340/4885TAAR1 4280/4885

“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.