SCHEMBL6695543

SCHEMBL6695543

CCOC(=O)C=C(OC)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
EPHX2 P34913 1/20 0.44
PPARG P37231 1/20 0.44
MAPT P10636 3/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
MAOB P27338 1/20 0.43
CYP3A4 P08684 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CRHBP P24387 1/20 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
SCHEMBL3939718 0.84 NPSR1 (0.49) NPSR1EPHX2PPARGMAPTNR4A1
SCHEMBL6383098 0.82 NR4A1 (0.62) NPSR1EPHX2PPARGMAPTNR4A1
SCHEMBL6381399 0.82 NR4A1 (0.62) NPSR1EPHX2PPARGMAPTNR4A1
SCHEMBL6381406 0.82 NR4A1 (0.62) NPSR1EPHX2PPARGMAPTNR4A1
SCHEMBL29779353 0.81 NPSR1 (0.50) NPSR1EPHX2PPARGMAPTNR4A1
SCHEMBL11386442 0.81 NPSR1 (0.50) NPSR1EPHX2PPARGMAPTNR4A1
SCHEMBL11386447 0.81 NPSR1 (0.50) NPSR1EPHX2PPARGMAPTNR4A1
SCHEMBL3293086 0.80 MAPT (0.49) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL3293089 0.80 MAPT (0.49) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL18255825 0.80 NPSR1 (0.46) NPSR1EPHX2PPARGMAPTNR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833374-B2 Such as 2-(4-chlorophenyl)-4-(3-(trifluoromethyl)phenyl)-1,2-dihydro-3H-pyrazolo(3,4-d)thieno(2,3-b)pyridin-3-one; for immunotherapeutic treatment of transplant rejection, autoimmune diseases, or graft versus host disease WYETH 2004-12-21 US disclosed
US-6734190-B2 REGULATION OF T CELL RESPONSES FOR IMMUNOSUPPRESION WYETH 2004-05-11 US disclosed
US-20040024008-A1 Dihydrodipyrazolopyridinylbenzamide and -sulfonamide inhibitors of B7-1 WYETH 2004-02-05 US disclosed
US-20040024009-A1 Dihydropyrazolo[3,4-d]thieno-[2,3-B]pyridinone inhibitors of B7-1 WYETH 2004-02-05 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-20040024009-A1 Dihydropyrazolo[3,4-d]thieno-[2,3-B]pyridinone inhibitors of B7-1 CD274, PDCD1, PDCD1LG2 NPSR1 2877/4885EPHX2 3288/4885PPARG 2689/4885
US-20040024008-A1 Dihydrodipyrazolopyridinylbenzamide and -sulfonamide inhibitors of B7-1 CD274, PDCD1, VCAM1 NPSR1 669/4885EPHX2 3628/4885PPARG 2004/4885

“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.