SCHEMBL2867487

SCHEMBL2867487

CCCCCOc1ccc(Cc2ccc(C(=O)P(=O)(O)O)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.47
S1PR3 Q99500 6/20 0.47
S1PR4 O95977 4/20 0.47
S1PR5 Q9H228 4/20 0.47
S1PR2 O95136 2/20 0.47
LPAR2 Q9HBW0 2/20 0.47
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
PDE4A P27815 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
PLA2G4B P0C869 2/20 0.43
PLA2G2A P14555 1/20 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
SCHEMBL2867581 0.99 S1PR1 (0.49) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL2871713 0.99 S1PR1 (0.49) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL2871048 0.98 SMN1; SMN2 (0.46) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL2866272 0.88 POLB (0.46) SMN1; SMN2TSHR
SCHEMBL2865182 0.87 ACACB (0.39) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL2871096 0.84 KDM4E (0.47) S1PR1S1PR3S1PR4S1PR5KDM4E
SCHEMBL2863556 0.83 TP53 (0.48) S1PR1S1PR3S1PR4S1PR5KDM4E
SCHEMBL2867918 0.83 TP53 (0.48) S1PR1S1PR3S1PR4S1PR5KDM4E
SCHEMBL2859411 0.81 ALOX15 (0.41) SMN1; SMN2
SCHEMBL2864886 0.81 KDM4E (0.49) S1PR1S1PR5KDM4ECYP1A2CYP2D6

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 S1PR1 457/4885S1PR3 376/4885S1PR4 1301/4885

“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.