SCHEMBL6565752

SCHEMBL6565752

COc1cc(C(=O)O)ccc1OS(C)(=O)=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.71
CA1 P00915 2/20 0.71
CA2 P00918 2/20 0.71
CA4 P22748 2/20 0.71
CA6 P23280 2/20 0.71
CA7 P43166 2/20 0.71
CA9 Q16790 2/20 0.71
CA14 Q9ULX7 2/20 0.71
TPMT P51580 1/20 0.71
TSHR P16473 4/20 0.61
TTR P02766 2/20 0.58
PKM P14618 2/20 0.58
HTT P42858 2/20 0.57
RAB9A P51151 4/20 0.56
LMNA P02545 2/20 0.56
MAPK1 P28482 1/20 0.56
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL14164863 0.95 CA12 (0.73) CA12CA1CA2CA4CA6
SCHEMBL30217507 0.87 CA12 (0.71) CA12CA1CA2CA4CA6
SCHEMBL10296035 0.87 TSHR (0.53) CA12CA1CA2CA4CA6
SCHEMBL5271378 0.87 CA12 (0.71) CA12CA1CA2CA4CA6
SCHEMBL31448065 0.85 CA12 (0.69) CA12CA1CA2CA4CA6
SCHEMBL24856261 0.85 MAPT (0.64) CA12CA1CA2CA4CA6
SCHEMBL30116285 0.85 MAPT (0.64) CA12CA1CA2CA4CA6
Veratric Acid SCHEMBL976032 0.84 CA12 (1.00) CA12CA1CA2CA4CA6
Veratric Acid SCHEMBL29386353 0.84 CA12 (1.00) CA12CA1CA2CA4CA6
Veratric Acid SCHEMBL114848 0.84 CA12 (1.00) CA12CA1CA2CA4CA6

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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 EP 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 CA12 4703/4885CA1 3612/4885CA2 2979/4885

“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.