SCHEMBL4500541

SCHEMBL4500541

C[S+]([O-])Cc1c[nH]c(=O)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.44
DPYD Q12882 1/20 0.40

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
SCHEMBL161148 0.76 ATAD2 (0.54) ATAD2DPYD
SCHEMBL5800398 0.73
SCHEMBL3699779 0.71 DPYD (0.43) ATAD2DPYD
SCHEMBL156784 0.71 ATAD2 (0.48) ATAD2
SCHEMBL2584919 0.70 LMNA (0.52) ATAD2DPYD
SCHEMBL2037916 0.70 DPYD (0.46) ATAD2DPYD
SCHEMBL4625879 0.70 ALDH1A1 (0.52) ATAD2DPYD
SCHEMBL6555485 0.70 DPYD (0.52) ATAD2DPYD
SCHEMBL5798297 0.70 DPYD (0.46) ATAD2DPYD
SCHEMBL4495952 0.69 ATAD2 (0.47) ATAD2DPYD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124919-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-12-02 EP claimed
US-20080318987-A1 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 US claimed
WO-2008103314-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-08-28 WO claimed
EP-2124919-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-12-02 EP disclosed
US-20080318987-A1 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 US disclosed
WO-2008103314-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-08-28 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-20080318987-A1 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION BMP4, BMP2, SOST ATAD2 2963/4885DPYD 3965/4885

“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.