SCHEMBL3596100

SCHEMBL3596100

COC(=O)Cn1cc(C#N)c(-c2cc(C#N)cc(C(F)(F)F)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRG P48443 1/20 0.43
POLB P06746 1/20 0.39
AR P10275 3/20 0.37
XDH P47989 1/20 0.35
ELANE P08246 3/20 0.35
TAS2R14 Q9NYV8 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL3599843 0.93 AR (0.40) RXRARXRGPOLBARKDM4E
SCHEMBL3600045 0.88 AR (0.37) RXRARXRGPOLBARXDH
SCHEMBL3600090 0.88 AR (0.37) RXRARXRGPOLBARXDH
SCHEMBL3593876 0.86 RXRA (0.52) RXRARXRGXDHTAS2R14PTGDR2
SCHEMBL3597829 0.85 AR (0.35) POLBARELANEKDM4ECYP1A2
SCHEMBL3604031 0.85 GAA (0.36) POLBARGLAGAAMAPT
SCHEMBL3600834 0.81 GPBAR1 (0.33) POLBARELANE
SCHEMBL3597872 0.79 RXRA (0.41) RXRARXRGXDHPTGDR2
SCHEMBL3609964 0.78 KDM4E (0.42) POLBARKDM4ECYP1A2GLA
SCHEMBL13404301 0.75 POLB (0.52) POLBKDM4E

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 RXRA 426/4885RXRG 377/4885POLB 2905/4885

“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.