SCHEMBL6154034

SCHEMBL6154034

O=C(O)c1ccc(CN(c2ccc(Cl)c(Cl)c2)c2nnc(-c3cccc(Oc4cccc(C(=O)O)c4)c3)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.47
PTGES O14684 2/20 0.41
ALOX5 P09917 2/20 0.41
LPAR1 Q92633 2/20 0.39
LPAR5 Q9H1C0 1/20 0.39
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
AKR1C3 P42330 1/20 0.37
GCGR P47871 1/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC2 Q92769 4/20 0.37

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
SCHEMBL4958493 0.90 KMO (0.42) KMOPTGESALOX5LPAR1HSD17B10
SCHEMBL6153971 0.90 S1PR1 (0.40) KMOPTGESALOX5LPAR1LPAR5
SCHEMBL4956507 0.86 KMO (0.39) KMOPTGESALOX5HSD17B10NPC1
SCHEMBL4957303 0.85 KMO (0.39) KMOPTGESALOX5HSD17B10NPC1
SCHEMBL4957299 0.85 PTPN1 (0.39) KMOPTGESALOX5HSD17B10NPC1
SCHEMBL4956127 0.85 KMO (0.39) KMOPTGESALOX5HSD17B10NPC1
SCHEMBL4956121 0.85 KMO (0.39) KMOPTGESALOX5HSD17B10NPC1
SCHEMBL4959796 0.84 KMO (0.37) KMOPTGESALOX5HSD17B10NPC1
SCHEMBL4959788 0.84 PTPN1 (0.38) KMOPTGESALOX5HSD17B10NPC1
SCHEMBL4955546 0.83 KMO (0.38) KMOPTGESALOX5HSD17B10NPC1

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 KMO 2929/4885PTGES 2780/4885ALOX5 3709/4885

“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.