SCHEMBL3818227

SCHEMBL3818227

CC(=O)Nc1ccc([S+]([O-])CN)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.50
▸ CA2 P00918 4/20 0.50
▸ CA12 O43570 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HTT P42858 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KMT2A Q03164 6/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ BRD4 O60885 1/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ MB P02144 1/20 0.48
▸ CYP1A1 P04798 1/20 0.48
▸ CA3 P07451 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ RARG P13631 1/20 0.48
▸ TSHR P16473 1/20 0.48

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
SCHEMBL21909284 0.84 SMN1; SMN2 (0.52) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL14468049 0.84 SMN1; SMN2 (0.52) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL3822081 0.81 ALDH1A1 (0.53) SMN1; SMN2L3MBTL1KMT2AALDH1A1MEN1
SCHEMBL11399811 0.80 ALDH1A1 (0.50) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL11640463 0.79 CA1 (0.51) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL11387426 0.78 ALDH1A1 (0.47) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL6636363 0.77 SMN1; SMN2 (0.55) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL9478167 0.76 ALDH1A1 (0.46) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL25379946 0.75 SMN1; SMN2 (0.53) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL861674 0.74 SMN1; SMN2 (0.84) CA1CA2CA12CA9SMN1; SMN2

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
EP-1348706-B1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-08-19 — — EP disclosed
US-7067537-B2 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-27 — — US disclosed
US-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-15 — — US disclosed
EP-1348706-A1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-01 — — EP 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-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof CYP17A1, CYP21A2, HSD17B1 CA1 466/4885CA2 393/4885CA12 793/4885

“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.

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