SCHEMBL3583336

SCHEMBL3583336

CCOc1cc(C=O)cc(S(=O)(=O)CC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 6/20 0.38
ESR1 P03372 2/20 0.38
AHR P35869 1/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
LOX P28300 1/20 0.35
MAPT P10636 1/20 0.34
GAA P10253 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL273282 0.82 ALDH1A1 (0.47) ALDH1A1ESR1AHRLMNAKDM4E
SCHEMBL5883815 0.82 ALDH1A1 (0.47) ALDH1A1ESR1AHRLMNAKDM4E
SCHEMBL12325144 0.76 TP53 (0.46) CA12CA1CA2CA7CA9
SCHEMBL13444759 0.75 ESR1 (0.59) ALDH1A1ESR1AHRKDM4ETDP1
SCHEMBL12361326 0.75 ALDH1A1 (0.42) ALDH1A1ESR1AHRLMNAKDM4E
SCHEMBL1621388 0.75 ALDH1A1 (0.50) ALDH1A1ESR1AHRKDM4ESMN1; SMN2
SCHEMBL5882501 0.74 KDM4E (0.45) ALDH1A1ESR1AHRLMNAKDM4E
SCHEMBL30902466 0.74 TACR2 (0.43) ALDH1A1ESR1AHRLMNAKDM4E
SCHEMBL29950754 0.74 ALDH1A1 (0.41) ALDH1A1ESR1AHRLMNAKDM4E
SCHEMBL31274883 0.74 LMNA (0.43) ALDH1A1ESR1AHRLMNAKDM4E

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-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 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-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 CA12 3114/4885CA1 2974/4885CA2 1232/4885

“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.