SCHEMBL3531371

SCHEMBL3531371

CCNc1cc(C(=O)OC)cc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.63
TRPA1 O75762 7/20 0.50
CYP1A2 P05177 2/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.43
ATF1 P18846 1/20 0.42
NFKB1 P19838 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CNR1 P21554 1/20 0.41
MAPT P10636 2/20 0.41
CES2 O00748 1/20 0.41
CFTR P13569 1/20 0.40

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
SCHEMBL3531715 0.84 TRPA1 (0.52) NOTUMTRPA1CYP1A2LMNAALDH1A1
SCHEMBL23668746 0.84 KDM4E (0.59) KDM4ELMNANFKB1HSD17B10ALDH1A1
SCHEMBL19002523 0.83 NOTUM (0.64) NOTUMKDM4ELMNANFKB1HSD17B10
SCHEMBL1999038 0.82 NOTUM (0.77) NOTUMKDM4ELMNANFKB1ALDH1A1
SCHEMBL475762 0.82 NOTUM (0.77) NOTUMKDM4ELMNANFKB1HSD17B10
SCHEMBL19002525 0.79 NOTUM (0.59) NOTUMTRPA1KDM4ELMNAHSD17B10
SCHEMBL5119432 0.79 NOTUM (0.59) NOTUMCYP1A2KDM4ELMNAATF1
SCHEMBL4966922 0.78 TRPA1 (0.53) TRPA1CYP1A2LMNAALDH1A1MAPT
SCHEMBL346670 0.78 NOTUM (1.00) NOTUMKDM4ELMNANFKB1ALDH1A1
SCHEMBL21839899 0.78 NOTUM (0.53) NOTUMKDM4ELMNANFKB1HSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655669-B2 Pyrimidineamide derivatives and the use thereof NOVARTIS AG (CH) 2010-02-02 US disclosed
EP-1546127-B1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF NOVARTIS AG (CH) 2007-08-08 EP disclosed
US-20060142577-A1 Novel pyrimidineamide derivatives and the use thereof NOVARTIS AG (CH) 2006-06-29 US disclosed
EP-1546127-A1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF Novartis AG (CH) 2005-06-29 EP disclosed
WO-2004029038-A1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF NOVARTIS AG (CH) 2004-04-08 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-20060142577-A1 Novel pyrimidineamide derivatives and the use thereof TYMP, NME2, DPYD NOTUM 3726/4885TRPA1 3849/4885CYP1A2 3077/4885

“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.