SCHEMBL3601186

SCHEMBL3601186

COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)C(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.57
CNR1 P21554 1/20 0.47
NPSR1 Q6W5P4 2/20 0.41
CES2 O00748 1/20 0.40
CFTR P13569 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CACNA1B Q00975 1/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL21609873 0.88 NOTUM (0.57) NOTUMCNR1NPSR1CES2CFTR
SCHEMBL12097450 0.83 NOTUM (0.62) NOTUMCNR1CES2CFTRCA12
SCHEMBL21609843 0.82 NOTUM (0.60) NOTUMCNR1NPSR1CES2CFTR
SCHEMBL29659866 0.82 NOTUM (0.60) NOTUMCNR1NPSR1CES2CFTR
SCHEMBL3593036 0.82 NOTUM (0.60) NOTUMCNR1CES2CFTRCA12
SCHEMBL8051192 0.81 NOTUM (0.59) NOTUMCNR1CES2CFTRCA12
SCHEMBL475762 0.81 NOTUM (0.77) NOTUMCNR1NPSR1CES2CFTR
SCHEMBL819456 0.81 CES2 (0.43) NPSR1CES2CA12CA1CA2
SCHEMBL1999038 0.81 NOTUM (0.77) NOTUMCNR1NPSR1CES2CFTR
SCHEMBL23714933 0.80 SLC7A5 (0.44) CYP2C9CA12CA1CA2CA7

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 4 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
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 (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-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY PRLHR, AVPR2, CRHR2 NOTUM 2466/4885CNR1 77/4885NPSR1 13/4885

“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.