SCHEMBL5860698

SCHEMBL5860698

COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)oc1CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
MAPT P10636 5/20 0.46
CFTR P13569 1/20 0.46
ERAP1 Q9NZ08 2/20 0.41
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AR P10275 1/20 0.38
NOTUM Q6P988 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38

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
SCHEMBL3105122 0.89 KDM4E (0.47) KDM4EMAPTCFTRERAP1FFAR1
SCHEMBL3101610 0.88 KDM4E (0.46) KDM4EMAPTCFTRERAP1FFAR1
SCHEMBL3100382 0.85 KDM4E (0.45) KDM4EMAPTCFTRERAP1FFAR1
SCHEMBL3913204 0.84 KDM4E (0.44) KDM4EMAPTCFTRERAP1FFAR1
SCHEMBL3905258 0.84 MAPT (0.44) KDM4EMAPTCFTRERAP1FFAR1
SCHEMBL3095623 0.84 MAPT (0.44) KDM4EMAPTCFTRERAP1FFAR1
SCHEMBL3101093 0.82 CFTR (0.50) KDM4EMAPTCFTRERAP1FFAR1
Hydrochloric Acid SCHEMBL5860788 0.81 KDM4E (0.42) KDM4EMAPTCFTRERAP1FFAR1
Bromide SCHEMBL5862749 0.80 KDM4E (0.41) KDM4EMAPTCFTRERAP1FFAR1
SCHEMBL3095895 0.79 KDM4E (0.47) KDM4EMAPTCFTRERAP1FFAR1

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 5 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
EP-1392674-A1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2004-03-03 EP disclosed
WO-2002092590-A1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2002-11-21 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-20040157890-A1 Furan and thiophene derivatives that activate human peroxisome profilerator activated receptors PPARG, PPARD, PPARA KDM4E 4485/4885MAPT 3315/4885CFTR 196/4885

“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.