SCHEMBL5837673

SCHEMBL5837673

[C-]#[N+]C(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPY2R P49146 1/20 0.38
GAA P10253 1/20 0.37
ACP3 P15309 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
C5AR1 P21730 1/20 0.36
CYP19A1 P11511 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL29952039 0.87 MAPT (0.44) TDP1NPY2RGAAALDH1A1MAPT
SCHEMBL4473496 0.87 NPY2R (0.36) HTTTDP1L3MBTL1NPY2RGAA
SCHEMBL5851624 0.87 MAPT (0.44) TDP1NPY2RGAAALDH1A1MAPT
SCHEMBL571272 0.87 EGFR (0.40) NPY2RGAAALDH1A1MAPTC5AR1
SCHEMBL4833791 0.87 CES2 (0.37) NPY2RALDH1A1CA1CA2CA12
SCHEMBL30716693 0.87 CES2 (0.37) NPY2RALDH1A1CA1CA2CA12
SCHEMBL408195 0.85 NPY2R (0.47) HTTTDP1L3MBTL1NPY2RGAA
SCHEMBL1307531 0.84 MAPT (0.46) HTTTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL29956006 0.83 GAA (0.45) HTTNPY2RGAAALDH1A1MAPT
SCHEMBL29951097 0.83 HTT (0.48) HTTL3MBTL1GAAACP3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-7056918-B2 Benzimidazole anti-inflammatory compounds PFIZER, INC. (US) 2006-06-06 US disclosed
EP-1370557-B1 BENZIMIDAZOLE ANTI-INFLAMMATORY COMPOUNDS PFIZER PROD INC (US) 2005-11-16 EP disclosed
EP-1370557-A1 BENZIMIDAZOLE ANTI-INFLAMMATORY COMPOUNDS Pfizer Products Inc. (US) 2003-12-17 EP disclosed
US-20030092749-A1 Novel benzimidazole anti-inflammatory compounds PFIZER INC. 2003-05-15 US disclosed
WO-2002072576-A1 BENZIMIDAZOLE ANTI-INFLAMMATORY COMPOUNDS PFIZER PRODUCTS INC. (US) 2002-09-19 WO 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-20030092749-A1 Novel benzimidazole anti-inflammatory compounds MAPK1, JAK1, CNKSR1 HTT 2704/4885TDP1 3084/4885L3MBTL1 2588/4885

“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.