SCHEMBL3645542

SCHEMBL3645542

[C-]#[N+]CS(=O)(=O)CCCCC

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.48
FAAH O00519 5/20 0.43
CES1 P23141 5/20 0.40
CES2 O00748 2/20 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
SCHEMBL10793693 0.98 CA2 (0.52) CA2FAAHCES1CES2
SCHEMBL12287867 0.83
SCHEMBL9941 0.77 CA2 (0.64) CA2FAAHCES1CES2
SCHEMBL350042 0.75 CA2 (0.68) CA2FAAHCES1CES2
SCHEMBL5586100 0.75 CA2 (0.68) CA2FAAHCES1CES2
Fluoride SCHEMBL25435314 0.75 CA2 (0.61) CA2FAAHCES1CES2
SCHEMBL8778750 0.75 CA2 (0.68) CA2FAAHCES1CES2
SCHEMBL8778833 0.75 CA2 (0.68) CA2FAAHCES1CES2
SCHEMBL395321 0.75 CA2 (0.68) CA2FAAHCES1CES2
SCHEMBL11058951 0.75 CA2 (0.68) CA2FAAHCES1CES2

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-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2010-04-08 US disclosed
EP-1828172-B1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2009-11-25 EP disclosed
US-20090209552-A1 Organic Compounds NOVARTIS AG 2009-08-20 US disclosed
EP-2032555-A1 PYRROLE DERIVATIVES WITH CRTH2 RECEPTOR MODULATOR ACTIVITY Novartis AG (CH) 2009-03-11 EP disclosed
WO-2007144127-A1 PYRROLE DERIVATIVES WITH CRTH2 RECEPTOR MODULATOR ACTIVITY NOVARTIS AG (CH) 2007-12-21 WO disclosed
EP-1828172-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 2007-09-05 EP disclosed
WO-2006063763-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2006-06-22 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 (2 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-20090209552-A1 Organic Compounds SLCO1B3, SLCO1B1, SLC10A6 CA2 1748/4885FAAH 4393/4885CES1 1825/4885
US-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY PRLHR, AVPR2, CRHR2 CA2 2254/4885FAAH 1026/4885CES1 3539/4885

“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.