SCHEMBL2532255

SCHEMBL2532255

COc1ccc(OS(=O)(=O)Cl)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.63
CA2 P00918 2/20 0.63
CA12 O43570 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 4/20 0.47
CYP1A1 P04798 5/20 0.46
CYP1A2 P05177 5/20 0.46
CYP1B1 Q16678 5/20 0.46
MAPT P10636 2/20 0.46
CYP3A4 P08684 1/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 1/20 0.45

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
1,2,4-Trimethoxybenzene SCHEMBL2496227 0.88 CA12 (0.75) CA1CA2CA12CA7CA9
SCHEMBL2461498 0.85 CA12 (0.63) CA1CA2CA12CA7CA9
SCHEMBL14015400 0.83 CA12 (0.61) CA1CA2CA12CA7CA9
SCHEMBL9958068 0.80 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL6935409 0.79 CA12 (0.55) CA1CA2CA12CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL27777905 0.79 CA12 (1.00) CA1CA2CA12CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL29350371 0.79 CA12 (1.00) CA1CA2CA12CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL481491 0.79 CA12 (1.00) CA1CA2CA12CA7CA9
SCHEMBL6935981 0.78 CA12 (0.65) CA1CA2CA12CA7CA9
SCHEMBL27549293 0.78 HDAC4 (0.54) CA1CA2CA12CA7CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338590-B2 Substituted oxindole derivatives and medicaments containing the same ABBOTT GMBH & CO. KG (DE) 2012-12-25 US disclosed
US-20110257194-A1 SUBSTITUTED OXINDOL DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME ABBOTT GMBH & CO. KG (DE) 2011-10-20 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-20110257194-A1 SUBSTITUTED OXINDOL DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME OXTR, AVPR2, AVPR1B CA1 1385/4885CA2 1078/4885CA12 1052/4885

“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.