SCHEMBL2859709

SCHEMBL2859709

CCc1ccc(Cc2ccc(F)c(CP(=O)(O)O)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.40
PGK1 P00558 4/20 0.39
PGK2 P07205 4/20 0.39
GAA P10253 4/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SRC P12931 1/20 0.36
ENPP2 Q13822 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
BACE1 P56817 1/20 0.34
PTPN5 P54829 1/20 0.33
MMP1 P03956 1/20 0.33
MMP13 P45452 1/20 0.33
XBP1 P17861 1/20 0.33

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
SCHEMBL2869912 0.83 PGK1 (0.51) PLK1PGK1PGK2THRATHRB
SCHEMBL2868577 0.83 THRA (0.50) PLK1PGK1PGK2THRATHRB
SCHEMBL2869956 0.82 PLK1 (0.40) PLK1PGK1PGK2GAATHRA
SCHEMBL27703412 0.81 POLB (0.38) PLK1GAATHRATHRBCYP2C19
SCHEMBL2864690 0.79 CA2 (0.45) PLK1GAATHRATHRBCYP2C19
SCHEMBL2864963 0.76 TAAR1 (0.35) PLK1GAACYP2C19NPC1RAB9A
SCHEMBL2869183 0.74 THRA (0.47) PLK1PGK1PGK2THRATHRB
SCHEMBL27570322 0.74 LMNA (0.47) ALDH1A1LMNA
SCHEMBL2865173 0.73 SLC5A1 (0.50) PLK1THRATHRBSMN1; SMN2NPC1
SCHEMBL2863551 0.73 ALPG (0.44) SMN1; SMN2NPC1RAB9A

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 1962/4885PGK1 2426/4885PGK2 1970/4885

“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.