SCHEMBL4911544

SCHEMBL4911544

Cc1ccc(S(=O)(=O)OCc2ccc(-c3cc4ccccc4o3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 1/20 0.54
P2RY14 Q15391 1/20 0.54
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PTGES2 Q9H7Z7 2/20 0.44
MAOB P27338 4/20 0.44
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
NPY1R P25929 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL4913678 0.78 PTPN1 (0.60) P2RY14KDM4EALDH1A1MEN1NPC1
SCHEMBL3687533 0.78 MAOB (0.68) CA9CA1CA2P2RY14KDM4E
SCHEMBL6859827 0.76 CA2 (0.63) CA9CA1CA2ALDH1A1MEN1
SCHEMBL8052920 0.76 CA2 (0.63) CA9CA1CA2ALDH1A1MEN1
SCHEMBL2890 0.75 CA9 (0.53) CA9CA1CA2ALDH1A1KMT2A
Ammonia Solution, Strong SCHEMBL9470841 0.74 CA9 (0.51) CA9CA1CA2ALDH1A1KMT2A
Toluene SCHEMBL9257721 0.74 CA9 (0.51) CA9CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL5693070 0.73 ALDH1A1 (0.49) CA9CA1CA2KDM4EALDH1A1
SCHEMBL30142410 0.73 ALDH1A1 (0.58) CA9CA1CA2P2RY14KDM4E
SCHEMBL6954402 0.71 BCHE (0.56) CA9CA1CA2P2RY14KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080299041-A1 HETEROCYCLIC INDENE DERIVATIVES AND THEIR RADIOISOTOPE LABELED COMPOUNDS FOR IMAGING BETA-AMYLOID DEPOSITION SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2008-12-04 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-20080299041-A1 HETEROCYCLIC INDENE DERIVATIVES AND THEIR RADIOISOTOPE LABELED COMPOUNDS FOR IMAGING BETA-AMYLOID DEPOSITION APP, BACE1, PSEN1 CA9 2652/4885CA1 1482/4885CA2 3781/4885

“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.