SCHEMBL5397381

SCHEMBL5397381

CS(=O)(=O)OC1C[C@@H](C(=O)O)N(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MMP2 P08253 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 3/20 0.44
ANPEP P15144 1/20 0.44
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
TSHR P16473 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
SCHEMBL5397387 1.00 CA12 (0.47) CA12CA1CA2CA9MMP2
SCHEMBL5397377 1.00 CA12 (0.47) CA12CA1CA2CA9MMP2
SCHEMBL9503221 0.89 MMP2 (0.56) CA12CA1CA2CA9MMP2
SCHEMBL9503995 0.89 MMP2 (0.56) CA12CA1CA2CA9MMP2
SCHEMBL14561134 0.89 MMP2 (0.56) CA12CA1CA2CA9MMP2
SCHEMBL6860718 0.87 AKR1C3 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL5497274 0.80 MMP2 (0.53) CA12CA1CA2CA9MMP2
SCHEMBL5497267 0.80 MMP2 (0.53) CA12CA1CA2CA9MMP2
SCHEMBL5497278 0.80 MMP2 (0.53) CA12CA1CA2CA9MMP2
SCHEMBL17822348 0.80 MMP2 (0.53) CA12CA1CA2CA9MMP2

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-7196112-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2007-03-27 US disclosed
US-20070066533-A1 Cell adhesion inhibitors LEE WEN-CHERNG 2007-03-22 US disclosed
US-20060014966-A1 Cell adhesion inhibitors BIOGEN IDEC MA INC. 2006-01-19 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 (2 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-20070066533-A1 Cell adhesion inhibitors VCAM1, EPCAM, ICAM1 CA12 2477/4885CA1 2937/4885CA2 4147/4885
US-20060014966-A1 Cell adhesion inhibitors VCAM1, EPCAM, ICAM1 CA12 2477/4885CA1 2937/4885CA2 4147/4885

“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.