SCHEMBL5726817

SCHEMBL5726817

Cc1ccccc1SC(C)(C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ SLC22A12 Q96S37 4/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ BCHE P06276 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CETP P11597 1/20 0.33
▸ DGAT1 O75907 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GRM6 O15303 1/20 0.32

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
SCHEMBL1463530 0.82 PIN1 (0.44) MAPTL3MBTL1TDP1LMNATSHR
SCHEMBL5726889 0.79 SLC22A12 (0.50) SLC22A12
SCHEMBL5726793 0.78 AAK1 (0.42) MAPTSLC22A12RAB9ASMN1; SMN2NPC1
SCHEMBL19403373 0.72 MAPT (0.47) MAPTL3MBTL1RAB9ALMNATSHR
SCHEMBL5727739 0.71 GPR119 (0.38) MAPTTDP1LMNASMN1; SMN2
SCHEMBL7930508 0.69 ACHE (0.43) TDP1TSHRALDH1A1
SCHEMBL5727003 0.69 CHRNA1 (0.37) MAPTL3MBTL1TDP1RAB9ALMNA
SCHEMBL24022095 0.68 SMN1; SMN2 (0.44) MAPTL3MBTL1RAB9ALMNATSHR
SCHEMBL12426830 0.68 ALDH1A1 (0.41) MAPTTDP1SLC22A12RAB9ALMNA
SCHEMBL3285117 0.68 SMN1; SMN2 (0.41) MAPTSLC22A12RAB9ALMNATSHR

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-1435951-B1 PHENYL SUBSTITUTED 5-MEMBERED NITROGEN CONTAINING HETEROCYCLES FOR THE TRETMENT OF OBESITY BAYER PHARMACEUTICALS CORP (US) 2006-01-18 — — EP disclosed
US-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2005-01-20 — — US disclosed
EP-1435951-A1 PHENYL SUBSTITUTED 5-MEMBERED NITROGEN CONTAINING HETEROCYCLES FOR THE TRETMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2004-07-14 — — EP disclosed
WO-2003037332-A1 PHENYL SUBSTITUTED 5-MEMBERED NITROGEN CONTAINING HETEROCYCLES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2003-05-08 — — 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 (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-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity GPR119, EGLN3, PC MAPT 3022/4885L3MBTL1 1973/4885TDP1 4209/4885

“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.

Send feedback