SCHEMBL2032609

SCHEMBL2032609

CC(C)C(c1cccc([N+](=O)[O-])c1)(C(C)C)P(=O)(O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.65
CA12 O43570 2/20 0.47
MMP2 P08253 2/20 0.47
ACP3 P15309 1/20 0.47
CA1 P00915 1/20 0.47
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 5/20 0.44
ACHE P22303 1/20 0.44
ALOX15 P16050 1/20 0.44
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 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
SCHEMBL2037217 0.77 PTPRC (0.65) PTPRCCA12MMP2ACP3CA1
SCHEMBL29408258 0.75 TSHR (0.52) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL2034730 0.75 TSHR (0.43) TSHRLMNANPC1
SCHEMBL22658171 0.75 TSHR (0.52) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL2633543 0.73 PTPRC (0.69) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL6302889 0.73 PTPRC (0.69) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL179286 0.72 PTPRC (0.63) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL9734076 0.72 PTPRC (0.63) PTPRCMMP2CA1TSHRLMNA
SCHEMBL31496742 0.72 PTPRC (0.63) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL7323878 0.71 PTPRC (0.61) PTPRCCA12MMP2ACP3CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 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-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS PTPRC 2652/4885CA12 4611/4885MMP2 4375/4885

“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.