SCHEMBL3596459

SCHEMBL3596459

CCCS(=O)(=O)c1ccc(C(F)(F)F)c(-c2cn(CC(=O)O)cc2C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.38
AR P10275 5/20 0.36
CYP2C19 P33261 1/20 0.35
ABCB11 O95342 1/20 0.35
ALB P02768 1/20 0.35
PGR P06401 1/20 0.35
ADRA2C P18825 1/20 0.35
GHSR Q92847 1/20 0.35
F11 P03951 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34

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
SCHEMBL3593302 0.81 PTGDR2 (0.37) PTGDR2CYP2C19RXRARXRG
SCHEMBL3609673 0.80 PTGDR2 (0.41) PTGDR2ARF11RXRARXRB
SCHEMBL3604843 0.77 AR (0.44) ARPGRRXRARXRBRXRG
SCHEMBL3588945 0.76 PSEN1 (0.34) PTGDR2RXRARXRG
SCHEMBL23877136 0.74 AR (0.51) ARCYP2C19ABCB11ALBPGR
SCHEMBL3594636 0.73 PTGDR2 (0.38) PTGDR2RXRARXRG
SCHEMBL3603210 0.72 GRIN2B (0.40) ARRXRARXRBRXRG
SCHEMBL3591226 0.71 CTSS (0.39) ARPGRF11RXRARXRB
SCHEMBL3596237 0.70 PTGDR2 (0.39) PTGDR2RXRARXRG
SCHEMBL3602959 0.70 IDH2 (0.38)

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-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2010-04-08 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-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY PRLHR, AVPR2, CRHR2 PTGDR2 18/4885AR 283/4885CYP2C19 2300/4885

“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.