SCHEMBL3874604

SCHEMBL3874604

CCOC(=O)c1cc(C(F)(F)F)c(F)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
JMJD6 Q6NYC1 1/20 0.40
HDAC4 P56524 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
IDO1 P14902 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 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
SCHEMBL22207738 0.86 JMJD6 (0.45) KDM4EALDH1A1L3MBTL1TSHRNPSR1
SCHEMBL3871135 0.82 ASPH (0.47) KDM4EALDH1A1HPGD
SCHEMBL3872040 0.79 TSHR (0.43) KDM4EALDH1A1L3MBTL1TSHRNPSR1
SCHEMBL828639 0.79 TSHR (0.57) KDM4EALDH1A1L3MBTL1TSHRCA12
SCHEMBL4952910 0.79 TSHR (0.57) KDM4EALDH1A1L3MBTL1TSHRCA12
SCHEMBL11576424 0.79 TSHR (0.57) KDM4EALDH1A1L3MBTL1TSHRCA12
SCHEMBL337915 0.79 TSHR (0.57) KDM4EALDH1A1L3MBTL1TSHRCA12
SCHEMBL7263275 0.79 TSHR (0.57) KDM4EALDH1A1L3MBTL1TSHRCA12
Hydrochloric Acid SCHEMBL7196906 0.77 TSHR (0.55) KDM4EALDH1A1L3MBTL1TSHRCA12
SCHEMBL7593446 0.77 TSHR (0.44) KDM4EALDH1A1L3MBTL1TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
EP-1848694-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F. Hoffmann-Roche AG (CH) 2007-10-31 EP disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 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 (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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 KDM4E 1959/4885ALDH1A1 52/4885L3MBTL1 4593/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 KDM4E 1959/4885ALDH1A1 52/4885L3MBTL1 4593/4885

“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.