SCHEMBL6153971

SCHEMBL6153971

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
CACNA1B Q00975 1/20 0.39
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
NR4A2 P43354 1/20 0.38
DDR1 Q08345 1/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
KMO O15229 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
EIF4E P06730 1/20 0.37
TRPM8 Q7Z2W7 2/20 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
SCHEMBL6154582 0.92 CETP (0.41) S1PR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6154034 0.90 KMO (0.47) KDM4EPTGESALOX5NR4A2NPC1
SCHEMBL6155267 0.89 HSD17B10 (0.40) S1PR1KDM4EALDH1A1CACNA1BDDR1
SCHEMBL6680592 0.89 LMNA (0.42) S1PR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6154990 0.89 P2RY1 (0.40) CACNA1BNPC1LMNAHPGDHSD17B10
SCHEMBL6155264 0.86 CETP (0.40) S1PR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6155070 0.83 PTPN5 (0.45) NPC1LMNAHPGDHSD17B10
SCHEMBL4957299 0.81 PTPN1 (0.39) PTGESALOX5NPC1LMNAHPGD
SCHEMBL4958493 0.81 KMO (0.42) KDM4EMEN1ALDH1A1KMT2APTGES
SCHEMBL4959788 0.80 PTPN1 (0.38) 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 4 patents. 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
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP S1PR1 1193/4885KDM4E 1133/4885MEN1 4329/4885

“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.