SCHEMBL4158294

SCHEMBL4158294

COc1ccc(C(Cl)(c2ccc(OC)cc2)c2ccc([S+](C)[O-])cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TDP1 Q9NUW8 5/20 0.39
MAPK1 P28482 4/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.34
PKM P14618 1/20 0.34
MAPT P10636 2/20 0.33
HSD11B1 P28845 1/20 0.33
RECQL P46063 2/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
APEX1 P27695 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL834255 0.84 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL11986375 0.84 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL16374625 0.84 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL7306483 0.84 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL1975657 0.82 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL4164187 0.82 AHR (0.41) CA1CA2CA7CA9CA12
SCHEMBL21880569 0.77 ESR2 (0.52) CA1CA2CA7CA9CA12
SCHEMBL121800 0.75 CA4 (0.54) CA1CA2CA7CA9CA12
SCHEMBL4157842 0.75 ACHE (0.65) CA1CA2CA7CA9CA12
SCHEMBL13940030 0.75 ACHE (0.65) CA1CA2CA7CA9CA12

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-20090182135-A1 Amino modifiers OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-07-16 US disclosed
US-20090182135-A1 Amino modifiers OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-07-16 US disclosed
US-20090182135-A1 Amino modifiers OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-07-16 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-20090182135-A1 Amino modifiers BCAT2, AADAT, BCAT1 CA1 1837/4885CA2 4093/4885CA7 3538/4885

“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.