SCHEMBL3469908

SCHEMBL3469908

COCCOCCOCCCS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.41
APP P05067 1/20 0.39
EPHX2 P34913 2/20 0.35
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
LMNA P02545 1/20 0.32
SLC6A6 P31641 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL9813894 1.00 CA2 (0.41) CA2APPEPHX2CYP3A4TSHR
SCHEMBL14114300 0.94 CA2 (0.40) CA2APPEPHX2CYP3A4TSHR
SCHEMBL14195598 0.94 CA2 (0.40) CA2APPEPHX2CYP3A4TSHR
SCHEMBL933652 0.91 APP (0.39) CA2APPCYP3A4TSHRPTGS1
SCHEMBL25299218 0.89 APP (0.48) APPCYP3A4TSHRPTGS1PDE4A
SCHEMBL22160261 0.89 APP (0.48) APPCYP3A4TSHRPTGS1PDE4A
SCHEMBL932722 0.86 CA2 (0.44) CA2APPEPHX2PTGS1PDE4A
SCHEMBL16941472 0.86 CA2 (0.44) CA2APPEPHX2PTGS1PDE4A
SCHEMBL24983142 0.86 CA2 (0.44) CA2APPEPHX2PTGS1PDE4A
SCHEMBL3177040 0.86

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
US-8476286-B2 for promoting the release of parathyroid hormone, e.g. for preventing or treating bone conditions which are associated with increased calcium depletion or resorption or in which stimulation of bone formation and calcium fixation in the bone is desirable NOVARTIS AG (CH) 2013-07-02 US disclosed
EP-2191832-A1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2010-06-02 EP disclosed
EP-1401451-B1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE NOVARTIS AG (CH) 2009-11-11 EP disclosed
US-20040180912-A1 Quinazoline derivatives NOVARTIS AG (CH) 2004-09-16 US disclosed
EP-1401451-A2 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2004-03-31 EP disclosed
WO-2002102782-A2 QUINAZOLINE DERIVATIVES which PROMOTE THE RELEASE OF PARATHYROID_HORMONE NOVARTIS AG (CH) 2002-12-27 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-20040180912-A1 Quinazoline derivatives PTH1R, PTMS, CALCA CA2 23/4885APP 2014/4885EPHX2 3809/4885

“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.