SCHEMBL5404989

SCHEMBL5404989

O=P(O)(Oc1ccc(COCCc2cccc3ccccc23)cc1Br)C(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.36
CCR5 P51681 1/20 0.35
ECE1 P42892 2/20 0.34
AKR1B1 P15121 2/20 0.34
S1PR5 Q9H228 2/20 0.33
POLB P06746 1/20 0.33
FFAR1 O14842 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
ADAM17 P78536 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CASP1 P29466 1/20 0.33
SMPD1 P17405 1/20 0.32
TACR1 P25103 1/20 0.32
MME P08473 1/20 0.32

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
SCHEMBL5404413 0.89 FFAR4 (0.36) FFAR1S1PR1S1PR3KDM4EALDH1A1
SCHEMBL5399806 0.85 ABCB1 (0.38) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL5468254 0.85 CYSLTR1 (0.38) ADAM17MEN1KMT2A
SCHEMBL5414183 0.80 TSHR (0.38) LMNA
SCHEMBL5399343 0.79 FFAR4 (0.35) CCR5S1PR1S1PR3KDM4EMEN1
SCHEMBL5404981 0.79 PTPN1 (0.47) ACP3AKR1B1
SCHEMBL5396755 0.77 PTPN2 (0.34) S1PR1S1PR3
SCHEMBL5396793 0.76 PTPN1 (0.35) CCR5S1PR1S1PR3MEN1ALDH1A1
SCHEMBL5401110 0.76 PTPN2 (0.35) ALDH1A1TACR1
SCHEMBL5395164 0.76 CETP (0.43) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163932-B2 Aryldifluoromethylphosphonic acids for treatment of diabetes MERCK FROSST CANADA & CO. (CA) 2007-01-16 US disclosed
US-20040176330-A1 Aryldifluoromethylphosphonic acids for treatment of diabetes MERCK FROSST CANADA LTD. (CA) 2004-09-09 US 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-20040176330-A1 Aryldifluoromethylphosphonic acids for treatment of diabetes PTPRF, PTPRO, PTP4A1 ACP3 154/4885CCR5 3517/4885ECE1 1253/4885

“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.