SCHEMBL2035458

SCHEMBL2035458

Nc1ccc(CP(=O)(OCC(F)(F)F)OCC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
MAOB P27338 5/20 0.39
ALDH1A1 P00352 4/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.34
GFER P55789 1/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
KIF11 P52732 1/20 0.33
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
PTGS1 P23219 2/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32

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
SCHEMBL6183722 0.78 PTGS2 (0.40) KIF11PTGS1
SCHEMBL479061 0.77 CCNT1 (0.46) FDPSALDH1A1TSHRGFERCYP3A4
SCHEMBL2030682 0.76 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HTTTSHRCYP3A4
Hydrochloric Acid SCHEMBL3120206 0.75 CCNT1 (0.45) FDPSMAOBALDH1A1TSHRGFER
SCHEMBL2035155 0.74 CA2 (0.43) FDPSMAOBALDH1A1TSHRGFER
Hypochlorous Acid SCHEMBL3120213 0.72 CCNT1 (0.44) FDPSHTTTSHRCYP3A4TDP1
SCHEMBL13537853 0.72 TSHR (0.50) SMN1; SMN2MAOBTSHRMAPTGAA
SCHEMBL2052517 0.72 FDPS (0.36) FDPSMAOBALDH1A1TSHRGFER
SCHEMBL914693 0.72 FDPS (0.41) FDPSMAOBALDH1A1TSHRGFER
SCHEMBL2032073 0.71 CYP3A4 (0.45) ALDH1A1TSHRCYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096624-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2015-08-04 US disclosed
US-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2013-09-05 US disclosed
US-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
EP-2438056-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2012-04-11 EP disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
WO-2010141406-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2010-12-09 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 (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-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS FDPS 1145/4885SMN1; SMN2 1215/4885MAOB 2330/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS FDPS 1145/4885SMN1; SMN2 1215/4885MAOB 2330/4885

“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.