SCHEMBL13404351

SCHEMBL13404351

CCS(=O)(=O)c1cc(C)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.40
DDR1 Q08345 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
PSIP1 O75475 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
NOTUM Q6P988 1/20 0.36
FFAR1 O14842 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK7 P50613 1/20 0.36
CCNH P51946 1/20 0.36
CCNA1 P78396 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
CES2 O00748 1/20 0.35

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
SCHEMBL13063654 0.88 CES2 (0.45) PTGDR2DDR1PSIP1HDAC8CES2
SCHEMBL13404431 0.88 CYP3A4 (0.40) PTGDR2BCHEACHERAPGEF4NOTUM
SCHEMBL13404429 0.85 CYP3A4 (0.40) BCHEACHE
SCHEMBL10069243 0.81 NOTUM (0.41) PTGDR2RAPGEF4NOTUMFFAR1CDK1
SCHEMBL13404365 0.80 HTT (0.46) PTGDR2HDAC8
SCHEMBL24513977 0.79 EPAS1 (0.41) BCHEACHERAPGEF4NOTUMFFAR1
SCHEMBL819883 0.79 KIF11 (0.47) HDAC8
SCHEMBL2758458 0.79 CES2 (0.41) RAPGEF4NOTUMFFAR1CDK1CCNB1
SCHEMBL12268183 0.79 RAPGEF4 (0.37) BCHEACHERAPGEF4NOTUMFFAR1
SCHEMBL13404359 0.78 HDAC8 (0.42) BCHEACHEHDAC8

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 2 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
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 18/4885DDR1 1257/4885BCHE 2032/4885

“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.