SCHEMBL2015100

SCHEMBL2015100

CC(=O)O[C@H]1C=C[C@H](n2cnc3c(F)ncc(F)c32)C1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AHCY P23526 10/20 0.38
ADCY5 O95622 10/20 0.37

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
SCHEMBL2015103 1.00 AHCY (0.38) AHCYADCY5
SCHEMBL2024502 0.91 ADCY5 (0.37) AHCYADCY5
SCHEMBL2024506 0.91 ADCY5 (0.37) AHCYADCY5
SCHEMBL13457899 0.82 AHCY (0.39) AHCYADCY5
SCHEMBL2021176 0.78 AHCY (0.46) AHCYADCY5
SCHEMBL30827039 0.70 LMNA (0.52) ADCY5
SCHEMBL30827036 0.70 ADCY5 (0.45) ADCY5
SCHEMBL9564683 0.67 KDM4E (0.45) ADCY5
SCHEMBL3670718 0.67 ADCY5 (0.35) ADCY5
SCHEMBL3768830 0.67 ADCY5 (0.35) ADCY5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629275-B2 AHCY hydrolase inhibitors for treatment of hyper homocysteinemia MERCK SHARP & DOHME CORP. (US) 2014-01-14 US disclosed
US-8629275-B2 AHCY hydrolase inhibitors for treatment of hyper homocysteinemia MERCK SHARP & DOHME CORP. (US) 2014-01-14 US disclosed
US-8629275-B2 AHCY hydrolase inhibitors for treatment of hyper homocysteinemia MERCK SHARP & DOHME CORP. (US) 2014-01-14 US disclosed
US-20110160229-A1 AHCY HYDROLASE INHIBITORS FOR TREATMENT OF HYPER HOMOCYSTEINEMIA MERCK SHARP & DOHME CORP. 2011-06-30 US disclosed
US-20110160229-A1 AHCY HYDROLASE INHIBITORS FOR TREATMENT OF HYPER HOMOCYSTEINEMIA MERCK SHARP & DOHME CORP. 2011-06-30 US disclosed
US-20110160229-A1 AHCY HYDROLASE INHIBITORS FOR TREATMENT OF HYPER HOMOCYSTEINEMIA MERCK SHARP & DOHME CORP. 2011-06-30 US disclosed
WO-2010027935-A1 AHCY HYDROLASE INHIBITORS FOR TREATMENT OF HYPER HOMOCYSTEINEMIA MERCK SHARP & DOHME CORP. (US) 2010-03-11 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-20110160229-A1 AHCY HYDROLASE INHIBITORS FOR TREATMENT OF HYPER HOMOCYSTEINEMIA AHCY, AHCYL1, BHMT AHCY 1/4885ADCY5 82/4885

“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.