SCHEMBL6703012

SCHEMBL6703012

Cc1ccc(S(=O)(=O)OCCc2coc(Cc3ccc(-c4ccccc4)cc3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.36
CA12 O43570 3/20 0.36
CA2 P00918 2/20 0.36
ALDH1A1 P00352 3/20 0.35
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 1/20 0.34
ITGB1 P05556 2/20 0.34
ITGA4 P13612 2/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGER1 P34995 2/20 0.34
MAPT P10636 2/20 0.33
KEAP1 Q14145 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 0.77 CA12 (0.42) CA12CA2ALDH1A1CA1CA9
SCHEMBL6702810 0.76 HDAC1 (0.38) CA12ALDH1A1CA1CA9MAPT
SCHEMBL6700633 0.76 KDM4E (0.41) ALDH1A1MAPT
SCHEMBL10557145 0.75 CNR2 (0.46) ITGB1ITGA4PTGESALOX5
SCHEMBL4894538 0.74 PPARA (0.47) CA12ALDH1A1CA1CA9PTGER1
SCHEMBL9144282 0.73 FKBP1A (0.44) ITGB1ITGA4PTGESALOX5
SCHEMBL4885359 0.72 PPARA (0.52) RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL4892388 0.72 PPARA (0.48) ALDH1A1ALOX5LMNA
SCHEMBL241683 0.71 CA9 (0.54) CA12CA2ALDH1A1CA1CA9
SCHEMBL4891981 0.69 MAPT (0.43) ALDH1A1TSHRMAPK1RAB9ASMN1; 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 6 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
US-6417212-B1 PHENYLOXAZOLE SUBSTITUTED ON BENZENEOXYPROPIONIC ACID OR ESTERS ELI LILLY & COMPANY 2002-07-09 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 (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 S1PR1 1092/4885CA12 2995/4885CA2 771/4885
US-20030045558-A1 Modulators of peroxisome proliferator activated receptors PPARG, PPARA, PPARD S1PR1 444/4885CA12 4775/4885CA2 3672/4885

“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.