SCHEMBL11952600

SCHEMBL11952600

CP(=O)(O)OP(=O)(O)OCCSCC(=O)O

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MVD P53602 4/20 0.76
GMNN O75496 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
BLM P54132 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
BTN3A1 O00481 1/20 0.34
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
BHMT Q93088 1/20 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
SCHEMBL11952589 0.72 ALDH1A1 (0.50) MVDHSD17B10BTN3A1
SCHEMBL5639474 0.72
SCHEMBL91094 0.69 BTN3A1 (0.41) MVDBLMBTN3A1
SCHEMBL11952605 0.67 SAT1 (0.42) MVDBTN3A1
SCHEMBL23118552 0.66 SAT1 (0.41) MVDBTN3A1
SCHEMBL11952584 0.66 MVD (0.49) MVDBTN3A1
SCHEMBL9640732 0.66 MVD (0.47) MVDGMNNTP53POLBMAPT
SCHEMBL11952610 0.66 BTN3A1 (0.43) MVDBTN3A1
SCHEMBL17151402 0.65 PPARD (0.48) MVDTP53BTN3A1
SCHEMBL10044363 0.65 GMNN (0.55) MVDGMNNTP53POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196835-A1 ENZYME INHIBITING COMPOUNDS AND METHODS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-08-02 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-20120196835-A1 ENZYME INHIBITING COMPOUNDS AND METHODS COASY, FADS2, FDPS MVD 246/4885GMNN 2856/4885TP53 4857/4885

“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.