SCHEMBL7059170

SCHEMBL7059170

CC(C)(C)OC(=O)C[C@@H](O)[C@H](N)C(=O)O.c1ccc2c(c1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SLC7A5 Q01650 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SLC1A3 P43003 5/20 0.35
SLC1A2 P43004 5/20 0.35
SLC1A1 P43005 5/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
KIF11 P52732 1/20 0.33
SLC15A1 P46059 1/20 0.33
KLK5 Q9Y337 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
SCHEMBL9841927 1.00 CYP2D6 (0.38) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL11402093 0.84 CYP2D6 (0.49) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL4297866 0.84 CYP2D6 (0.49) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL27962069 0.84 CYP2D6 (0.49) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL28896711 0.79 SLC1A2 (0.38) CYP2D6HDAC8SLC7A5SLC1A3SLC1A2
SCHEMBL11040530 0.76 TSHR (0.49) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL11036091 0.76 TSHR (0.49) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL28008180 0.75 MEN1 (0.47) CYP2D6SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL7296197 0.74 CD69 (0.41) MEN1CYP2C19KMT2A
SCHEMBL1916264 0.74 PLA2G10 (0.37) CYP2C9CYP2C19PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030055213-A1 Endothelin-antagonizing peptide TANAKA TAKEO (JP) 2003-03-20 US disclosed
US-6194195-B1 PURE CULTURE; FOR PRODUCTION OF HYPOTENSIVE AGENTS AND THERAPIES FOR ASTHMA, CEREBRAL APOPLEXY, ANGINA PECTORIS, ACUTE RENAL FAILURE, CARDIAC INFARCTION, AND CEREBRAL VASOSPASM KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-02-27 US disclosed
EP-0474273-B1 A polypeptide capable of interacting with thrombin ASAHI CHEMICAL IND (JP) 1996-11-13 EP disclosed
US-5574007-A Polypeptide capable of interacting with thrombin ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1996-11-12 US disclosed
EP-0679658-A1 ENDOTHELIN-ANTAGONIZING PEPTIDE KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-11-02 EP disclosed
EP-0672680-A1 NOVEL PEPTIDE KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-09-20 EP disclosed
EP-0474273-A2 A polypeptide capable of interacting with thrombin Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1992-03-11 EP disclosed
US-4369178-A Glucosamine peptide derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-01-18 US disclosed
EP-0014984-B1 GLUCOSAMINE-PEPTIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1982-12-01 EP disclosed
EP-0014984-A1 Glucosamine-peptide derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1980-09-03 EP disclosed
US-4209441-A Anti-gastric secretion polypeptide AMERICAN HOME PRODUCTS CORPORATION (US) 1980-06-24 US disclosed
US-4146614-A TREATMENT OF SCHIZOPHRENIA STATE OF MICHIGAN (US) 1979-03-27 US disclosed
US-4082736-A NOVEL IMMUNOLOGICAL ADJUVANT COMPOUNDS AND METHODS OF PREPARATION THEREOF SYNTEX (U.S.A.) INC. (US) 1978-04-04 US disclosed
US-4082735-A NOVEL IMMUNOLOGICAL ADJUVANT COMPOUNDS AND METHODS OF PREPARATION THEREOF SYNTEX (U.S.A.) INC. (US) 1978-04-04 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 (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-20030055213-A1 Endothelin-antagonizing peptide NPY1R, ECE1, EDNRB CYP2D6 3565/4885HDAC3 2194/4885HDAC1 2181/4885

“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.