SCHEMBL5860764

SCHEMBL5860764

OCc1cc(-c2ccc(C(F)(F)F)cc2)oc1CSCc1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
MGLL Q99685 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
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
CYP3A5 P20815 1/20 0.37
CYP2A7 P20853 1/20 0.37
CYP3A7 P24462 1/20 0.37
CYP2F1 P24903 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
SCHEMBL6165133 0.83 CYP1A1 (0.41) GAAALDH1A1MAPTCYP1A1CYP1A2
SCHEMBL3107826 0.78 CYP1A1 (0.40) MAPTCYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL5861736 0.76 PPARD (0.58)
SCHEMBL5861080 0.75 ERAP1 (0.39) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL5860744 0.74 SMN1; SMN2 (0.46) GAAALDH1A1MAPTHPGDNPSR1
SCHEMBL3111585 0.74 CYP1A1 (0.43) MAPTCYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL5861064 0.74 PPARD (0.44)
SCHEMBL6166408 0.73 PPARD (0.41) MAPTCYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL5861211 0.72 CYP1A1 (0.41) ALDH1A1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL6164826 0.71 CYP1A1 (0.34) NPSR1CYP1A1CYP1A2CYP2E1CYP3A4

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 GAA 1400/4885MGLL 555/4885ALDH1A1 1729/4885

“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.