SCHEMBL2238087

SCHEMBL2238087

CCOC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)oc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CRHBP P24387 1/20 0.47
KMT2A Q03164 1/20 0.47
CRHR2 Q13324 1/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 1/20 0.44
ALDH1A1 P00352 2/20 0.44
BRCA1 P38398 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MLYCD O95822 1/20 0.43
GAA P10253 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
TNKS O95271 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL3905472 0.87 NPC1 (0.40) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL3101093 0.86 CFTR (0.50) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL24952179 0.86 MEN1 (0.52) MAPTKDM4EMEN1KMT2ATP53
SCHEMBL31223779 0.86 MEN1 (0.52) MAPTKDM4EMEN1KMT2ATP53
SCHEMBL29858410 0.85 NPC1 (0.48) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL12348719 0.85 TARBP2 (0.52) MAPTKDM4EHSP90AA1NPC1RAB9A
SCHEMBL3905609 0.84 MAPT (0.43) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL4705049 0.83 ESR1 (0.53) MAPTKDM4EHSP90AA1NPC1RAB9A
SCHEMBL3105153 0.82 NPC1 (0.67) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL29858707 0.82 TARBP2 (0.54) MAPTKDM4EMEN1HSP90AA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
EP-2064193-A1 HETEROCYCLIC GPR40 MODULATORS Amgen, Inc (US) 2009-06-03 EP disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 US disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 US disclosed
WO-2008030520-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2008-03-13 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 (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-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS GPR119, GPR55, GPR65 MAPT 4395/4885KDM4E 3673/4885MEN1 2521/4885
US-20080090840-A1 Heterocyclic GPR40 Modulators GPR119, GPR55, GPR65 MAPT 4395/4885KDM4E 3673/4885MEN1 2521/4885

“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.