SCHEMBL13404369

SCHEMBL13404369

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
POLB P06746 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 1/20 0.42
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.40
IDH2 P48735 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
PNMT P11086 1/20 0.39

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
SCHEMBL17277472 0.84 CYP3A4 (0.44) GAAMAPTPOLBKMT2ALMNA
SCHEMBL13188852 0.84 ALDH1A1 (0.50) GAAPOLBKMT2AALDH1A1
SCHEMBL3277623 0.80 TRPV1 (0.58) MAPTPOLBKMT2ALMNAHTT
SCHEMBL13404376 0.79 CA1 (0.41) GAAMAPTPOLBKMT2AALDH1A1
SCHEMBL16508871 0.79 CA1 (0.59) GAAMAPTALOX12KMT2ALMNA
SCHEMBL25737834 0.78 FFAR1 (0.42) GAAMAPTKMT2AMAPK1
SCHEMBL13404406 0.78 FABP4 (0.54) GAAMAPTALOX12POLBKMT2A
SCHEMBL13404429 0.78 CYP3A4 (0.40) MAPTPOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL13404431 0.77 CYP3A4 (0.40) LMNAALDH1A1
SCHEMBL26430427 0.77 FFAR1 (0.41) GAAMAPTPOLBKMT2ALMNA

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 GAA 3936/4885MAPT 4382/4885ALOX12 1915/4885

“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.