SCHEMBL6153536

SCHEMBL6153536

[NH]c1cccc(Oc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
KIF11 P52732 1/20 0.47
TEAD1 P28347 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
ADORA2A P29274 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
F10 P00742 1/20 0.42
KDM4E B2RXH2 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL9798371 0.88 LTA4H (0.54) LTA4HKIF11TEAD1L3MBTL1ALDH1A1
SCHEMBL27579381 0.84 LTA4H (0.59) LTA4HKIF11TEAD1L3MBTL1ALDH1A1
SCHEMBL9546526 0.82 L3MBTL1 (0.55) LTA4HKIF11TEAD1L3MBTL1ALDH1A1
SCHEMBL42429 0.82 TSHR (0.54) ALDH1A1NPSR1MAPTTSHRMAPK1
SCHEMBL13216570 0.79 CYP2C9 (0.51) LTA4HKIF11TEAD1L3MBTL1ALDH1A1
SCHEMBL13791556 0.78 L3MBTL1 (0.65) LTA4HKIF11TEAD1L3MBTL1ALDH1A1
SCHEMBL30539120 0.78 TSHR (0.68) LTA4HKIF11TEAD1L3MBTL1ALDH1A1
SCHEMBL6229502 0.78 RAB9A (0.56) LTA4HKIF11TEAD1L3MBTL1ALDH1A1
SCHEMBL6153537 0.78 TSHR (0.68) LTA4HKIF11TEAD1L3MBTL1ALDH1A1
SCHEMBL29603301 0.78 NPSR1 (0.53) LTA4HKIF11TEAD1L3MBTL1ALDH1A1

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 LTA4H 2659/4885KIF11 3849/4885TEAD1 1649/4885

“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.