SCHEMBL357470

SCHEMBL357470

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
NOTUM Q6P988 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
AR P10275 1/20 0.43
DDR1 Q08345 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
SLC7A5 Q01650 1/20 0.41
CFTR P13569 2/20 0.39
SRD5A1 P18405 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL27490413 0.88 ALOX15 (0.48) ALOX15NOTUMCA12CA1CA2
SCHEMBL1712040 0.84 NOTUM (0.62) ALOX15NOTUMCA12CA1CA2
SCHEMBL23866225 0.83 NOTUM (0.56) ALOX15NOTUMCA12CA1CA2
SCHEMBL30208027 0.83 TAS1R3 (0.48) NOTUMCA12CA1CA2CA9
SCHEMBL7472823 0.82 ALOX15 (0.48) ALOX15CA12CA1CA2CA9
SCHEMBL11090176 0.82 ALOX15 (0.53) ALOX15CA12CA1CA2CA9
SCHEMBL355461 0.81 HDAC1 (0.51) ALOX15CA12CA1CA2CA9
SCHEMBL38654909 0.81 ALOX15 (0.47) ALOX15CA12CA1CA2CA9
SCHEMBL3311471 0.80 LMNA (0.54) ALOX15NOTUMCA12CA1CA2
SCHEMBL30231213 0.79 KIF11 (0.53) ALOX15NOTUMCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
EP-2390254-A1 NOVEL PYRROLOÝ2,3-d¨PYRIMIDINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2011-11-30 EP disclosed
US-20110257678-A1 VASCULAR EMBOLIC FILTER EXCHANGE DEVICES AND METHODS OF USE THEREOF INCEPT LLC (US) 2011-10-20 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-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND GPR119, GPR139, HCAR1 ALOX15 2291/4885NOTUM 4248/4885CA12 4095/4885

“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.