SCHEMBL2869962

SCHEMBL2869962

CC(C)(C)c1ccc(Cc2cc(CCl)ccc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 5/20 0.51
SLC5A2 P31639 5/20 0.51
MPO P05164 1/20 0.39
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
NR1H4 Q96RI1 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ESRRB O95718 1/20 0.35

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
SCHEMBL1539336 0.82 SLC5A1 (0.50) SLC5A1SLC5A2MPOADRA2AADRA2B
SCHEMBL2873156 0.81 SLC5A2 (0.48) SLC5A1SLC5A2SLC6A2SLC6A4SLC6A3
SCHEMBL11300316 0.80 SLC5A2 (0.48) SLC5A1SLC5A2MPOSLC6A2SLC6A4
SCHEMBL2865155 0.79 SLC5A1 (0.48) SLC5A1SLC5A2NR1H4MEN1CYP1A2
SCHEMBL29269305 0.78 SLC5A1 (0.46) SLC5A1SLC5A2SLC6A2SLC6A4SLC6A3
SCHEMBL1204683 0.75 TSHR (0.48) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL12807520 0.75 CYP19A1 (0.51) SLC5A1SLC5A2NR1H4SLC6A2SLC6A4
SCHEMBL2871442 0.74 SLC5A2 (0.54) SLC5A1SLC5A2ADRA2AMEN1KMT2A
SCHEMBL11300314 0.74 SLC5A2 (0.51) SLC5A1SLC5A2ADRA2ANR1H4EPHX2
SCHEMBL15681531 0.74 SLC5A2 (0.44) SLC5A1SLC5A2MPOSLC6A2SLC6A4

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 SLC5A1 1236/4885SLC5A2 1771/4885MPO 3157/4885

“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.