SCHEMBL5748466

SCHEMBL5748466

Cc1ccc(S(=O)(=O)OC(Br)Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
CA12 O43570 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.45
MCHR1 Q99705 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CNR2 P34972 3/20 0.41
VDR P11473 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 1/20 0.40
CA4 P22748 1/20 0.40

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
SCHEMBL8206560 0.84 GAA (0.50) CA2CA7CA9BCHEACHE
SCHEMBL8322191 0.84 GAA (0.50) CA2CA7CA9BCHEACHE
SCHEMBL8187178 0.84 GAA (0.50) CA2CA7CA9BCHEACHE
SCHEMBL6934702 0.82 GAA (0.48) CA2CA7CA9BCHEACHE
SCHEMBL1904849 0.82 CA2 (0.47) CA2CA7CA9BCHEACHE
SCHEMBL11784096 0.82 BCHE (0.49) CA2CA7CA9BCHEACHE
SCHEMBL7259363 0.81 CA2 (0.46) CA2CA7CA9BCHEACHE
SCHEMBL7341952 0.79 PPARG (0.57) CA2CA7GAALMNAPPARG
SCHEMBL17023782 0.79 CYP24A1 (0.48) CA2CA7CA9BCHEACHE
SCHEMBL25224824 0.78 CA2 (0.44) CA2CA7CA9BCHEACHE

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-20060287529-A1 Solid phase synthesis of antitumoral compounds PHARMA MAR, S.A.U. (ES) 2006-12-21 US disclosed
EP-1613635-A2 SOLID PHASE SYNTHESIS OF ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2006-01-11 EP disclosed
WO-2004073598-A2 SOLID PHASE SYNTHESIS OF ANTITUMORAL COMPOUNDS PHARMA MAR, S.A.U. (ES) 2004-09-02 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-20060287529-A1 Solid phase synthesis of antitumoral compounds TSNAX, TSN, PLIN5 CA2 3519/4885CA7 1521/4885CA9 3902/4885

“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.