SCHEMBL6702810

SCHEMBL6702810

Cc1ccc(S(=O)(=O)OCCc2coc(C(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPY2R P49146 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CYP19A1 P11511 1/20 0.34
PSMD10 O75832 1/20 0.34
PKM P14618 1/20 0.34
CYP24A1 Q07973 1/20 0.34
APLNR P35414 1/20 0.33
STAT3 P40763 1/20 0.33

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
SCHEMBL3715604 0.80 CA12 (0.42) CA12CA1CA9KEAP1NFE2L2
SCHEMBL6703012 0.76 S1PR1 (0.36) CA12CA1CA9KEAP1NFE2L2
SCHEMBL4655851 0.72 LMNA (0.44) CA12CA1CA9LMNANPSR1
SCHEMBL241683 0.72 CA9 (0.54) CA12CA1CA9LMNAALDH1A1
SCHEMBL8198987 0.71 HSD11B1 (0.42) CA12CA1CA9KEAP1NFE2L2
SCHEMBL30018427 0.71 ALDH1A1 (0.47) LMNANPSR1ALDH1A1POLBMAPT
SCHEMBL1607077 0.71 ALDH1A1 (0.47) LMNANPSR1ALDH1A1POLBMAPT
SCHEMBL7840144 0.71 ALDH1A1 (0.43) CA12CA1CA9LMNANPSR1
SCHEMBL18092988 0.70 ALDH1A1 (0.45) CA12CA1CA9LMNANPSR1
SCHEMBL18092987 0.70 ALDH1A1 (0.45) CA12CA1CA9LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825222-B2 2-(4-(2-(2-BIPHENYL-YL-5-METHYL-THIAZOL-4-YL)-ALKOXY)-PHENOXY) -2-METHYL-PROPIONIC ACID DERIVATIVES; ANTIDIABETIC AGENTS ELI LILLY AND COMPANY 2004-11-30 US disclosed
US-20040019090-A1 2-(4-(2-(2-biphenyl-yl-5-methyl-thiazol-4-yl)-alkoxy)-phenoxy) -2-methyl-propionic acid derivatives; antidiabetic agents ELI LILLY & COMPANY 2004-01-29 US disclosed
EP-1206457-B1 BIARYL-OXA(THIA)ZOLE DERIVATIVES AND THEIR USE AS PPARS MODULATORS LILLY CO ELI (US) 2003-10-15 EP disclosed
US-6610696-B2 Such as 2-(4-(2-(2-(4-(3,5-dimethyl-isoxazol-4-yl)-phenyl)-5-methyloxazol-4-yl) -ethyoxy)-phenoxy)-2-methylpropionic acid for treatment of diabetes (lowering serum triglycerides) ELI LILLY AND COMPANY 2003-08-26 US disclosed
US-20030045558-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY & COMPANY LILY CORPORATE CENTER (US) 2003-03-06 US disclosed
WO-2001016120-A9 BIARYL-OXA(THIA)ZOLE DERIVATIVES AND THEIR USE AS PPARS MODULATORS LILLY CO ELI (US) 2002-07-11 WO disclosed
US-6417212-B1 PHENYLOXAZOLE SUBSTITUTED ON BENZENEOXYPROPIONIC ACID OR ESTERS ELI LILLY & COMPANY 2002-07-09 US disclosed
EP-1206457-A1 BIARYL-OXA(THIA)ZOLE DERIVATIVES AND THEIR USE AS PPARS MODULATORS ELI LILLY AND COMPANY (US) 2002-05-22 EP disclosed
WO-2001016120-A1 BIARYL-OXA(THIA)ZOLE DERIVATIVES AND THEIR USE AS PPARS MODULATORS ELI LILLY AND COMPANY (US) 2001-03-08 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 (2 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-20040019090-A1 2-(4-(2-(2-biphenyl-yl-5-methyl-thiazol-4-yl)-alkoxy)-phenoxy) -2-methyl-propionic acid derivatives; antidiabetic agents SLC5A2, SLC5A1, GLP1R HDAC1 925/4885HDAC8 1370/4885HDAC6 1990/4885
US-20030045558-A1 Modulators of peroxisome proliferator activated receptors PPARG, PPARA, PPARD HDAC1 683/4885HDAC8 810/4885HDAC6 1408/4885

“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.