SCHEMBL17019196

SCHEMBL17019196

Cc1ccc(OC(=O)Cc2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 1/20 0.46
SIRT5 Q9NXA8 1/20 0.44
LMNA P02545 2/20 0.44
MMP2 P08253 4/20 0.42
MMP8 P22894 4/20 0.42
MMP12 P39900 4/20 0.42
MMP13 P45452 4/20 0.42
MMP14 P50281 4/20 0.42
MMP16 P51512 4/20 0.42
GAA P10253 1/20 0.41
CA2 P00918 4/20 0.40
CA9 Q16790 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 3/20 0.40
CA5A P35218 1/20 0.40
MMP9 P14780 3/20 0.40
MMP1 P03956 2/20 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
SCHEMBL17022164 0.82 BCL9 (0.49) KMT2AGAACA2CA9ALDH1A1
SCHEMBL11042825 0.80 PKM (0.51) L3MBTL1GAACA2CA9CA12
SCHEMBL10364238 0.79 CA1 (0.54) TDP1MMP2MMP8MMP12MMP13
SCHEMBL17019166 0.78 CA2 (0.52) CA2CA9CA12CA1CA5A
SCHEMBL22531363 0.77 MTNR1A (0.47) L3MBTL1MMP2MMP8MMP12MMP13
SCHEMBL29549289 0.77 MTNR1A (0.47) L3MBTL1MMP2MMP8MMP12MMP13
SCHEMBL4662818 0.74 CA2 (0.47) KMT2ACA2CA9CA12CA1
SCHEMBL789755 0.72 SMN1; SMN2 (0.60) TDP1L3MBTL1KMT2ALMNAALDH1A1
SCHEMBL4749786 0.72 CA1 (0.49) MMP2MMP8MMP12MMP13MMP14
SCHEMBL10362231 0.72 AKR1B1 (0.59) TDP1MMP2MMP8MMP12MMP13

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-20150232434-A1 STAT3 INHIBITORS AND THEIR ANTICANCER USE OHIO STATE INNOVATION FOUNDATION 2015-08-20 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-20150232434-A1 STAT3 INHIBITORS AND THEIR ANTICANCER USE STAT3, STAT1, JAK1 TDP1 1696/4885L3MBTL1 2458/4885KMT2A 2033/4885

“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.