SCHEMBL13337644

SCHEMBL13337644

O=P(OCC(F)(F)F)(OCC(F)(F)F)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
PGK1 P00558 2/20 0.36
PGK2 P07205 2/20 0.36
PTPN5 P54829 2/20 0.35
ACP3 P15309 4/20 0.35
TACR1 P25103 1/20 0.33
FABP7 O15540 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 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
SCHEMBL13337650 0.77 NPSR1 (0.48) ALDH1A1TSHRSMN1; SMN2
SCHEMBL13337687 0.75 PTPN1 (0.47) PTPN1ALDH1A1TSHRPGK1PGK2
SCHEMBL13337665 0.74 MEN1 (0.55) ALDH1A1CA2
SCHEMBL777165 0.73 MEN1 (0.53) PTPN1ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL4134585 0.73 TDP1 (0.45) PTPN1ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL13337653 0.73 CA12 (0.40) PTPN1ALDH1A1TSHRCA1CA2
SCHEMBL13337684 0.71 CYP3A4 (0.44)
SCHEMBL24072545 0.70 SMN1; SMN2 (0.49) ALDH1A1HTTSMN1; SMN2
SCHEMBL781336 0.70 CA2 (0.44) ALDH1A1TSHRHTTSMN1; SMN2CA2
SCHEMBL17169192 0.70 DGAT1 (0.49) PTPN1ALDH1A1TSHRHTTSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709465-B2 Phosphorous containing compounds including triphenylmethylphosphonate esters for the treatment of melanoma and other cancers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-05-04 US disclosed
US-7709465-B2 Phosphorous containing compounds including triphenylmethylphosphonate esters for the treatment of melanoma and other cancers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-05-04 US disclosed
US-20090004293-A1 Phosphorous Containing Compounds Including Triphenylmethylphosphonate Esters for the Treatment of Melanoma and Other Cancers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-01-01 US disclosed
US-20090004293-A1 Phosphorous Containing Compounds Including Triphenylmethylphosphonate Esters for the Treatment of Melanoma and Other Cancers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-01-01 US disclosed
WO-2007137200-A2 PHOSPHOROUS CONTAINING COMPOUNDS INCLUDING TRIPHENYLMETHYLPHOSPHONATE ESTERS FOR THE TREATMENT OF MELANOMA AND OTHER CANCERS BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-11-29 WO 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-20090004293-A1 Phosphorous Containing Compounds Including Triphenylmethylphosphonate Esters for the Treatment of Melanoma and Other Cancers PHOSPHO1, MCL1, MTMR1 PTPN1 374/4885ALDH1A1 3084/4885TSHR 3271/4885

“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.