SCHEMBL2867645

SCHEMBL2867645

COc1ccc(Cc2cc(C(=O)P(=O)(O)O)ccc2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
IGF1R P08069 1/20 0.40
ALOX15 P16050 1/20 0.40
HSP90AA1 P07900 1/20 0.40
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 2/20 0.40
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL2872134 0.87 MAPT (0.47) PLK1ALOX15ALDH1A1NPC1SLC5A1
SCHEMBL2869093 0.86 POLB (0.43) NPC1SLC5A1SLC5A2MAPTPOLB
SCHEMBL2867926 0.85 PLK1 (0.49) PLK1NFKB1NFKB2RELAALDH1A1
SCHEMBL2859727 0.85 GSTA1 (0.45) PLK1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL2873161 0.85 HSP90AA1 (0.47) PLK1ALOX15HSP90AA1ALDH1A1HTT
SCHEMBL2859683 0.85 KEAP1 (0.45) ALOX15HSP90AA1ALDH1A1MAPT
SCHEMBL2872116 0.85 SRD5A2 (0.52) CA1CA2ALOX15
SCHEMBL2871495 0.84 GAA (0.42) PLK1ALDH1A1SLC5A1SLC5A2
SCHEMBL14408681 0.83 PKM (0.55) CA1CA2NFKB1NFKB2RELA
SCHEMBL14408668 0.82 CA1 (0.56) PLK1CA1CA2SAE1UBA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691898-B2 Phosphonic acid derivatives and the treating agents of diseases related hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2010-04-06 US disclosed
US-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
CN-101072783-A Phosphonic acid derivative and therapeutic agent for disease in which high phosphate level in blood participates KOTOBUKI PHARMACEUTICAL CO LTD (JP) 2007-11-14 CN disclosed
EP-1813620-A1 PHOSPHONIC ACID DERIVATIVE AND THERAPEUTIC AGENT FOR DISEASE IN WHICH HIGH PHOSPHATE LEVEL IN BLOOD PARTICIPATES Kotobuki Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP 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-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia NR0B1, NR0B2, PTH1R PLK1 1962/4885CA1 747/4885CA2 274/4885

“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.