SCHEMBL6157029

SCHEMBL6157029

O=C(O)c1ccc(C[N]c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
EPHX2 P34913 1/20 0.52
SRD5A2 P31213 1/20 0.51
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
HAO1 Q9UJM8 1/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
FYN P06241 1/20 0.40
CD69 Q07108 1/20 0.40
TRPA1 O75762 1/20 0.40

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
SCHEMBL6156501 0.82 LOXL2 (0.46) TSHRNPC1RAB9AMEN1KMT2A
SCHEMBL366289 0.75 HAO1 (0.67) TSHREPHX2SRD5A2KDM4ENPC1
SCHEMBL11418983 0.72 CA2 (0.62) TSHREPHX2SRD5A2KMT2AALDH1A1
SCHEMBL11418981 0.72 CA2 (0.62) TSHREPHX2SRD5A2KMT2AALDH1A1
SCHEMBL8352471 0.71 TSHR (1.00) TSHREPHX2SRD5A2KDM4ENPC1
SCHEMBL371998 0.71 TSHR (1.00) TSHREPHX2SRD5A2KDM4ENPC1
SCHEMBL29353637 0.71 TSHR (1.00) TSHREPHX2SRD5A2KDM4ENPC1
SCHEMBL7580355 0.70 ALDH1A1 (0.59) TSHRSRD5A2KDM4ENPC1RAB9A
SCHEMBL6154495 0.70 CYP2A6 (0.42) KMT2A
SCHEMBL10603908 0.69 TSHR (0.95) TSHREPHX2SRD5A2KDM4ENPC1

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 3 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 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 TSHR 1917/4885EPHX2 3806/4885SRD5A2 3554/4885

“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.