SCHEMBL2037217

SCHEMBL2037217

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.65
TSHR P16473 4/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 7/20 0.44
ACHE P22303 1/20 0.44
ALOX15 P16050 1/20 0.44
ACP3 P15309 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
MMP2 P08253 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 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
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42
HPGD P15428 2/20 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
SCHEMBL3390400 0.82 PGK1 (0.52) PTPRCACHEACP3
SCHEMBL78562 0.81 ALDH1A1 (0.51) PTPRCLMNAALDH1A1ACHECA12
SCHEMBL9798929 0.78 CYP3A4 (0.42) PTPRCTSHRLMNAALDH1A1MAPT
SCHEMBL2032609 0.77 PTPRC (0.65) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL18855195 0.76 PTPRC (0.56) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL22215327 0.76 PTPRC (0.56) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL6017682 0.75 GPR35 (0.37) PTPRCTSHRLMNAALDH1A1NPC1
SCHEMBL8061160 0.75 GPR35 (0.45) PTPRCTSHRLMNAALDH1A1ALOX15
SCHEMBL6017684 0.75 GPR35 (0.37) PTPRCTSHRLMNAALDH1A1NPC1
SCHEMBL1362338 0.75 MEN1 (0.41) ALDH1A1CA1MMP2SMN1; SMN2MEN1

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 2652/4885TSHR 4171/4885LMNA 4131/4885

“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.