SCHEMBL6157031

SCHEMBL6157031

O=C(O)c1ccc(CNc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.64
FFAR1 O14842 1/20 0.57
TSHR P16473 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SRD5A2 P31213 1/20 0.51
SERPINE1 P05121 1/20 0.51
KDM4E B2RXH2 2/20 0.50
HDAC1 Q13547 1/20 0.50
CBS P35520 1/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
PPARA Q07869 1/20 0.48

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
SCHEMBL11248617 0.91 FFAR1 (0.69) EPHX2FFAR1TSHRALDH1A1MEN1
SCHEMBL6156505 0.84 CA1 (0.65) FFAR1TSHRALDH1A1MEN1KMT2A
SCHEMBL4418236 0.83 CA1 (0.59) FFAR1ALDH1A1KMT2AL3MBTL1HDAC1
SCHEMBL2647499 0.82 ALDH1A1 (0.72) FFAR1TSHRALDH1A1MEN1KMT2A
SCHEMBL11246224 0.82 ALDH1A1 (0.72) FFAR1TSHRALDH1A1MEN1KMT2A
SCHEMBL11264961 0.81 ALDH1A1 (0.70) FFAR1TSHRALDH1A1MEN1KMT2A
SCHEMBL6840198 0.80 PPARA (0.60) FFAR1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL11511690 0.80 MEN1 (0.60) FFAR1MEN1KMT2AL3MBTL1MAPT
SCHEMBL17182504 0.78 FFAR1 (0.51) EPHX2FFAR1TSHRALDH1A1MEN1
SCHEMBL16583990 0.78 TSHR (0.62) EPHX2TSHRALDH1A1MEN1KMT2A

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 EPHX2 3806/4885FFAR1 4172/4885TSHR 1917/4885

“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.