SCHEMBL2863748

SCHEMBL2863748

O=C(c1ccc(Cc2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)s1)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.42
S1PR3 Q99500 3/20 0.42
SRD5A2 P31213 1/20 0.42
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
S1PR4 O95977 1/20 0.39
S1PR5 Q9H228 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
FFAR1 O14842 1/20 0.37
HPGD P15428 1/20 0.37
PPARG P37231 6/20 0.36
PPARA Q07869 5/20 0.36
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
VCAM1 P19320 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL2870215 0.94 SRD5A2 (0.48) S1PR1S1PR3SRD5A2PTGDR2FFAR1
SCHEMBL2863765 0.92 FFAR4 (0.44) S1PR1S1PR3SRD5A2FFAR1HPGD
SCHEMBL2865052 0.84 SRD5A2 (0.44) S1PR1S1PR3SRD5A2ACACBACACA
SCHEMBL2871257 0.83 NR4A2 (0.49) SRD5A2FFAR1HPGD
SCHEMBL2859411 0.80 ALOX15 (0.41) FFAR1PPARG
SCHEMBL2866272 0.79 POLB (0.46) HPGD
SCHEMBL2868563 0.78 POLB (0.44) ACACBHPGD
SCHEMBL2871061 0.77 SRD5A2 (0.51) SRD5A2PTGDR2FFAR1PPARGPPARA
SCHEMBL2874081 0.77 PTPN1 (0.36) HPGD
SCHEMBL2871048 0.77 SMN1; SMN2 (0.46) S1PR1S1PR3S1PR4S1PR5

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 3 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
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 376/4885SRD5A2 69/4885

“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.