SCHEMBL4286706

SCHEMBL4286706

O=[N+]([O-])c1ccc(C(O)(O)C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.57
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA5A P35218 1/20 0.53
CA9 Q16790 1/20 0.53
RORC P51449 1/20 0.46
CES1 P23141 1/20 0.45
CYP19A1 P11511 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.43
ACHE P22303 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL1812296 0.81 HSD11B1 (0.82) HSD11B1CA1CA2CA5ACA9
SCHEMBL27736519 0.80 HSD11B1 (0.61) HSD11B1CA1CA2CA5ACA9
SCHEMBL6050906 0.79 CA1 (0.56) HSD11B1CA1CA2CA5ACA9
SCHEMBL4973441 0.79 CA1 (0.56) HSD11B1CA1CA2CA5ACA9
SCHEMBL16046946 0.79 CA1 (0.56) HSD11B1CA1CA2CA5ACA9
SCHEMBL445417 0.79 CA1 (0.56) HSD11B1CA1CA2CA5ACA9
SCHEMBL439543 0.79 CA1 (0.60) HSD11B1CA1CA2CA5ACA9
SCHEMBL522267 0.78 TDP1 (0.52) HSD11B1CA1CA2CA5ACA9
SCHEMBL1816134 0.78 CYP19A1 (0.55) HSD11B1CA1CA2CA5ACA9
SCHEMBL16141195 0.77 CA1 (0.58) HSD11B1CA1CA2CA5ACA9

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-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 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 (2 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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT HSD11B1 3786/4885CA1 4588/4885CA2 4385/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT HSD11B1 3125/4885CA1 4687/4885CA2 4420/4885

“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.