SCHEMBL17032632

SCHEMBL17032632

Cc1ccc(S(=O)(=O)OCCn2cc(O)cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ MMP8 P22894 2/20 0.40
▸ MMP13 P45452 2/20 0.40
▸ PSMD10 O75832 1/20 0.40
▸ CYP2D6 P10635 2/20 0.38
▸ VDR P11473 1/20 0.37
▸ STAT3 P40763 2/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ SIRT5 Q9NXA8 1/20 0.35
▸ CYP24A1 Q07973 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL15507906 0.84 MMP2 (0.38) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL27031940 0.78 MMP2 (0.43) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL11007032 0.76 PKM (0.50) CYP2D6ALDH1A1CYP3A4CYP2C19CYP1A2
SCHEMBL6647468 0.76 CA1 (0.41) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL31679545 0.75 MMP2 (0.40) MMP2MMP9MMP8MMP13KMT2A
SCHEMBL4592604 0.73 MMP2 (0.39) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL241884 0.73 CA1 (0.52) MMP2MMP9MMP8MMP13CYP2D6
SCHEMBL3975042 0.72 L3MBTL1 (0.49) CYP2D6CA12CA1CA9ALDH1A1
SCHEMBL31662452 0.72 CA12 (0.42) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL13327063 0.71 PTGS2 (0.45) MMP2PSMD10CYP2D6VDRSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409907-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-09 — — US disclosed
US-9409907-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-09 — — US disclosed
US-20150239884-A1 INHIBITOR COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-08-27 — — US disclosed
US-20150239884-A1 INHIBITOR COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-08-27 — — 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-20150239884-A1 INHIBITOR COMPOUNDS BUB1B, BUB1, CDK1 MMP2 4766/4885MMP9 4728/4885MMP8 4853/4885

“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.

Send feedback