SCHEMBL5861839

SCHEMBL5861839

OCc1cc(-c2ccc(C(F)(F)F)cc2)oc1CSc1ccc2ccccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
RXFP1 Q9HBX9 3/20 0.37
PRNP P04156 3/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2E1 P05181 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP4B1 P13584 1/20 0.37
CYP2B6 P20813 1/20 0.37

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
SCHEMBL5861121 0.79 PPARD (0.61)
SCHEMBL5862806 0.76 PPARD (0.47)
SCHEMBL5861847 0.75 MAPT (0.36) MAPTCYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL5860744 0.75 SMN1; SMN2 (0.46) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL3107826 0.75 CYP1A1 (0.40) MAPTKDM4ECYP1A1CYP1A2CYP2E1
SCHEMBL6165133 0.75 CYP1A1 (0.41) ALDH1A1MAPTGAASMN1; SMN2L3MBTL1
SCHEMBL6166408 0.74 PPARD (0.41) MAPTCYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL6164826 0.72 CYP1A1 (0.34) L3MBTL1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL5861080 0.72 ERAP1 (0.39) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL3111585 0.71 CYP1A1 (0.43) MAPTCYP1A1CYP1A2CYP2E1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091237-B2 Furan and thiophene derivatives that activate human peroxisome proliferator activated receptors SMITHKLINE BEECHAM CORPORATION (US) 2006-08-15 US disclosed
EP-1392674-B1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-08-10 EP disclosed
US-20040157890-A1 Furan and thiophene derivatives that activate human peroxisome profilerator activated receptors GLAXO GROUP LIMITED (GB) 2004-08-12 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-20040157890-A1 Furan and thiophene derivatives that activate human peroxisome profilerator activated receptors PPARG, PPARD, PPARA ALDH1A1 1729/4885MAPT 3315/4885HPGD 228/4885

“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.