SCHEMBL13529945

SCHEMBL13529945

CC(C)(C)OC(=O)c1ccc(C(F)(F)F)c(I)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
CFTR P13569 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
SLC7A5 Q01650 1/20 0.38
KIF11 P52732 1/20 0.38
ALOX15 P16050 1/20 0.37
WDR5 P61964 1/20 0.37
HTR7 P34969 1/20 0.37
CES2 O00748 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL3414110 0.84 NOTUM (0.67) NOTUMCFTRCA12CA1CA2
SCHEMBL28946880 0.83 KIF11 (0.53) NOTUMGABRA1GABRG2GABRB3GABRA3
SCHEMBL30231213 0.83 KIF11 (0.53) NOTUMGABRA1GABRG2GABRB3GABRA3
SCHEMBL27490413 0.81 ALOX15 (0.48) NOTUMCFTRGABRA1GABRG2GABRB3
SCHEMBL23827048 0.80 CA12 (0.51) NOTUMCA12CA1CA2CA9
SCHEMBL30208027 0.79 TAS1R3 (0.48) NOTUMGABRA1GABRG2GABRB3GABRA3
SCHEMBL23866225 0.79 NOTUM (0.56) NOTUMGABRA1GABRG2GABRB3GABRA3
SCHEMBL3562931 0.79 GABRA1 (0.44) NOTUMGABRA1GABRG2GABRB3GABRA3
SCHEMBL357470 0.78 ALOX15 (0.45) NOTUMCFTRGABRA1GABRG2GABRB3
SCHEMBL24619898 0.78 CA12 (0.45) NOTUMGABRA1GABRG2GABRB3GABRA3

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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN NOTUM 4122/4885CFTR 4493/4885GABRA1 4302/4885

“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.