SCHEMBL4606977

SCHEMBL4606977

NC(=O)Cc1c(C(F)(F)F)c2ccc(N)cc2oc1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.56
HSD17B3 P37058 2/20 0.49
ESR1 P03372 2/20 0.49
AR P10275 1/20 0.49
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 8/20 0.47
HPGD P15428 6/20 0.47
HSD17B10 Q99714 5/20 0.47
KMT2A Q03164 5/20 0.47
CASP1 P29466 4/20 0.47
CASP7 P55210 4/20 0.47
MEN1 O00255 4/20 0.47
GAA P10253 3/20 0.47
SRC P12931 2/20 0.47
ATM Q13315 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TLR9 Q9NR96 1/20 0.47
GLA P06280 3/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 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
SCHEMBL3994327 0.80 SRC (0.64) HSD17B3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14384569 0.75 CYP2C9 (0.70) CYP2C9HSD17B3ESR1ARKDM4E
SCHEMBL15161176 0.74 AR (0.47) CYP2C9ARKDM4EALDH1A1MAPT
SCHEMBL27457481 0.72 KDM4E (0.50) CYP2C9HSD17B3ESR1ARKDM4E
SCHEMBL5273533 0.72 CYP2C9 (1.00) CYP2C9HSD17B3ESR1ARKDM4E
SCHEMBL5284518 0.70 KDM4E (0.60) CYP2C9HSD17B3ESR1ARKDM4E
SCHEMBL5905798 0.70 CYP2C9 (0.79) CYP2C9HSD17B3ESR1ARKDM4E
SCHEMBL31415321 0.70 LCK (0.55) HSD17B3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL180110 0.70 LCK (0.55) HSD17B3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29752815 0.69 SRC (0.64) HSD17B3KDM4EALDH1A1HPGDHSD17B10

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-20080280856-A1 Fibroblast Activation Protein Inhibitor Compounds and Methods GENENTECH, INC. (US) 2008-11-13 US disclosed
EP-1943257-A2 FIBROBLAST ACTIVATION PROTEIN INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2008-07-16 EP disclosed
US-7399869-B2 N-blocked peptide proline boronate compounds; hyperproliferative disorders like cancer, neurodegeneration, cardiac hypertrophy, pain, migraine, neurotraumatic disease, cirrhosis, fibromatosis, and rheumatoid arthritis GENENTECH, INC. (US) 2008-07-15 US disclosed
US-20060276435-A1 Fibroblast activation protein inhibitor compounds and methods GENENTECH, INC. (US) 2006-12-07 US disclosed
WO-2006125227-A2 FIBROBLAST ACTIVATION PROTEIN INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2006-11-23 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-20060276435-A1 Fibroblast activation protein inhibitor compounds and methods FAP, FIBP, FGFR1 CYP2C9 4510/4885HSD17B3 3802/4885ESR1 4234/4885
US-20080280856-A1 Fibroblast Activation Protein Inhibitor Compounds and Methods FAP, FIBP, FGFR1 CYP2C9 4510/4885HSD17B3 3802/4885ESR1 4234/4885

“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.