SCHEMBL6154059

SCHEMBL6154059

O=C(O)c1ccc(CN(Cc2ccc(CP(=O)(OF)OF)cc2)c2nnc(-c3cccc(Oc4ccccc4)c3)s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.40
ALOX5 P09917 2/20 0.40
GAA P10253 2/20 0.39
LPAR1 Q92633 4/20 0.38
LPAR5 Q9H1C0 4/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SRD5A2 P31213 1/20 0.37
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
RAB9A P51151 1/20 0.36
IP6K1 Q92551 1/20 0.36
IP6K3 Q96PC2 1/20 0.36
IP6K2 Q9UHH9 1/20 0.36
NR3C1 P04150 1/20 0.35
CSNK2A2 P19784 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
SCHEMBL4958087 0.87 PTPN1 (0.40) GAA
SCHEMBL6154058 0.85 PTPN1 (0.41) PTGESALOX5GAALPAR1LPAR5
SCHEMBL4955386 0.85 NR3C1 (0.39) PTGESALOX5GAALPAR1NPC1
SCHEMBL5502717 0.82 PTGES (0.41) PTGESALOX5LPAR1LPAR5NPC1
SCHEMBL4958080 0.79 PTPN1 (0.45) GAANPC1LMNAHPGDHSD17B10
SCHEMBL4958895 0.79 PTGES (0.57) PTGESALOX5LPAR1LPAR5HSD17B10
SCHEMBL4956780 0.76 HDAC1 (0.35) PTGESALOX5LPAR1NPC1LMNA
SCHEMBL4955383 0.76 PTPN1 (0.43) NPC1HDAC1HDAC2HDAC8HDAC6
SCHEMBL5502778 0.75 CETP (0.41) NPC1LMNAHSD17B10RAB9A
SCHEMBL4957303 0.74 KMO (0.39) PTGESALOX5NPC1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US claimed

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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP PTGES 2780/4885ALOX5 3709/4885GAA 2365/4885

“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.