SCHEMBL963978

SCHEMBL963978

CC(C)CCCC(C)(C)C(=O)CP(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
BLM P54132 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
ANPEP P15144 3/20 0.31

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
SCHEMBL10994878 0.82 MEN1 (0.34) ALDH1A1TDP1MEN1KMT2ACYP3A4
SCHEMBL3741739 0.81 FDPS (0.44) FDPS
SCHEMBL453784 0.80 ALDH1A1 (0.32) ALDH1A1TDP1MEN1KMT2AGRIN2D
SCHEMBL10682984 0.79 FDPS (0.47) FDPS
SCHEMBL10683628 0.78 GGPS1 (0.50) FDPS
SCHEMBL10682391 0.78 GGPS1 (0.50) FDPS
SCHEMBL9806960 0.77 TPI1 (0.35) ACACBACACAMEN1KMT2ACYP3A4
SCHEMBL10683719 0.76 FDPS (0.41) TDP1MEN1KMT2ABLMLMNA
SCHEMBL7627856 0.76 CES2 (0.35) ACACBACACAALDH1A1TDP1LAP3
SCHEMBL7952902 0.75 GRM4 (0.33) ALDH1A1TDP1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190092722-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INC. 2019-03-28 US disclosed
US-9180116-B2 Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions CAYMAN CHEMICAL COMPANY, INC. (US) 2015-11-10 US disclosed
US-20150175538-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INC. 2015-06-25 US disclosed
US-20110015238-A1 BLOOD FLOW PROMOTERS FOR CAUDA EQUINA TISSUES ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 US disclosed
US-6265440-B1 STOMACH ULCERS R-TECH UENO, LTD. (JP) 2001-07-24 US disclosed
US-5886034-A ANTIULCER AGENTS KABUSHIKI KAISHA UENO SEIYAKU KENKYUJO (JP) 1999-03-23 US disclosed
US-5534547-A Prostaglandins of the D series, and tranquilizers and soporifics containing the same KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 1996-07-09 US disclosed
US-5428062-A Side effect reduction K.K. UENO SEIYAKU OYO KENKYUJO (JP) 1995-06-27 US disclosed
US-5284858-A Prostaglandins E and anti ulcers containing same KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 1994-02-08 US disclosed
US-5225439-A Side effect reduction K.K. UENO SEIYAKU OYO KENKYUJO (JP) 1993-07-06 US disclosed
US-5166174-A For duodenal ulcers or gastric ulcers K.K. UENO SEIYAKU OYO KENKYUJO (JP) 1992-11-24 US disclosed
US-4410720-A HYPOTENSIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 1983-10-18 US disclosed
US-4246426-A USEFUL IN INDUCING LABOR, TERMINATING PREGNANCY, TREATING GASTRIC HYPERACIDITY, WITH CARDIOVASCULAR AND BRONCHODILATOR EFFECTS HOFFMANN-LA ROCHE INC. (US) 1981-01-20 US disclosed
US-4246402-A CARDIOVASCULAR AGENTS AND OXYTOCICS HOFFMANN-LA ROCHE INC. (US) 1981-01-20 US disclosed
US-4226985-A CARDIOVASCULAR AGENTS, OXYTOCICS HOFFMANN-LA ROCHE INC. (US) 1980-10-07 US disclosed
US-4227019-A CARDIOTONIC AGENTS; OXYTOCICS HOFFMANN-LA ROCHE INC. (US) 1980-10-07 US disclosed
US-4059576-A CARDIOVASCULAR, OXYTOCICS HOFFMANN-LA ROCHE, INC. (US) 1977-11-22 US disclosed
US-4052446-A OXYTOCICS, CARDIOVASCULAR AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-10-04 US disclosed
US-4036871-A CARDIOVASCULAR AGENTS, LABOR INDUCERS, ABORTION HOFFMANN-LA ROCHE INC. (US) 1977-07-19 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-20150175538-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 ACACB 3477/4885ACACA 3049/4885ALDH1A1 654/4885
US-20190092722-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 ACACB 3477/4885ACACA 3049/4885ALDH1A1 654/4885
US-20110015238-A1 BLOOD FLOW PROMOTERS FOR CAUDA EQUINA TISSUES PTGFR, PTGIS, PTGIR ACACB 2447/4885ACACA 2340/4885ALDH1A1 427/4885

“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.