SCHEMBL2863695

SCHEMBL2863695

CCOc1ccc(Cc2ccc(CP(=O)(O)O)s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
PLK1 P53350 1/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
NQO1 P15559 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.39

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
SCHEMBL2865016 0.83 PLK1 (0.42) PTPN1PLK1MAPTALDH1A1GAA
SCHEMBL16301967 0.80 NQO1 (0.54) PTPN1PLK1MAPTALDH1A1NPC1
SCHEMBL2866272 0.80 POLB (0.46) PLK1MAPTALDH1A1GAANPC1
SCHEMBL2872167 0.77 NQO1 (0.47) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL27703308 0.75 POLB (0.45) PLK1MAPTALDH1A1GAANPC1
SCHEMBL2864616 0.74 POLB (0.46) PLK1MAPTALDH1A1GAANPC1
SCHEMBL2868852 0.74 NQO1 (0.47) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL2874053 0.73 THRA (0.52) PTPN1PLK1MAPTALDH1A1KDM4E
SCHEMBL2863706 0.72 SLC5A1 (0.49) PTPN1PLK1MAPTALDH1A1KDM4E
SCHEMBL2865173 0.71 SLC5A1 (0.50) PTPN1PLK1MAPTALDH1A1NPC1

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 PTPN1 619/4885PLK1 1962/4885MAPT 4759/4885

“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.