SCHEMBL5634656

SCHEMBL5634656

O=COCC1c2ccccc2-c2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CASP3 P42574 3/20 0.36
EPHX2 P34913 1/20 0.36
KMT2A Q03164 2/20 0.35
FABP7 O15540 2/20 0.34
FABP5 Q01469 2/20 0.34
ALB P02768 3/20 0.34
HRH3 Q9Y5N1 1/20 0.33
HTR2A P28223 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
SCHEMBL135438 0.82 CA1 (0.44) CA1CA2CASP3EPHX2KMT2A
SCHEMBL29393453 0.81 CA1 (0.53) CA1CA2CASP3EPHX2KMT2A
SCHEMBL12719 0.81 CA1 (0.53) CA1CA2CASP3EPHX2KMT2A
SCHEMBL1934604 0.81 CA1 (0.43) CA1CA2CASP3EPHX2KMT2A
SCHEMBL1539602 0.81 CA1 (0.47) CA1CA2CASP3EPHX2KMT2A
SCHEMBL1934603 0.79 KMT2A (0.43) CA1CA2CASP3EPHX2KMT2A
SCHEMBL21843101 0.78 CA1 (0.42) CA1CA2CASP3EPHX2KMT2A
SCHEMBL16253852 0.78 KMT2A (0.48) CA1CA2CASP3EPHX2KMT2A
Methylene Chloride SCHEMBL28181606 0.77 CA1 (0.49) CA1CA2CASP3EPHX2KMT2A
SCHEMBL13270319 0.76 PTPRC (0.42) CA1CA2KMT2A

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-20070099917-A1 Novel inhibitors and methods for their preparation THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2007-05-03 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-20070099917-A1 Novel inhibitors and methods for their preparation TK1, ABL1, FLT3 CA1 2277/4885CA2 2445/4885CASP3 1030/4885

“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.