SCHEMBL3708499

SCHEMBL3708499

O=S(=O)(O)c1c(Cl)cc2cccc3c4cccc5cccc(c1c23)c54.[LiH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.38
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
AHR P35869 1/20 0.38
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 2/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 3/20 0.33
SLC9A1 P19634 1/20 0.33
CCR1 P32246 1/20 0.32
CCR8 P51685 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2A6 P11509 1/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL3703111 0.98 CYP1A2 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL3709866 0.97 CYP1A2 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL3694898 0.97 CYP1A2 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL3702696 0.83 CYP1A2 (0.42) CYP1A2ERBB2FYNMAOAACHE
Potassium Ion SCHEMBL3709864 0.82 CYP1A2 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL3694895 0.82 CYP1A2 (0.38) CYP1A2ERBB2FYNMAOAACHE
Lithium Ion SCHEMBL3708497 0.82 CYP1A2 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL11928223 0.81 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL3697272 0.81 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL3702269 0.80 CYP1A2 (0.42) CYP1A2ERBB2FYNMAOAACHE

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
EP-2460789-B1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-04-19 EP disclosed
US-9079830-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-14 US disclosed
EP-2460789-A1 METHOD FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-06-06 EP disclosed
US-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-17 US 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-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND AKR7A2, AOC2, CBR1 CYP1A2 10/4885ERBB2 1560/4885FYN 3808/4885

“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.