Sugi Predict

Sugi Predict / Compounds / SCHEMBL178278

SCHEMBL178278

SCHEMBL178278

CCc1cc(OC(F)(F)F)ccc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.44
▸ POLB P06746 1/20 0.40
▸ RUNX1 Q01196 1/20 0.40
▸ GPR3 P46089 1/20 0.40
▸ PTGS1 P23219 3/20 0.39
▸ PTGS2 P35354 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ EPHX2 P34913 2/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ PIM1 P11309 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
SCHEMBL16959631 0.93 FFAR4 (0.44) FFAR4POLBRUNX1GPR3PTGS1
SCHEMBL3872156 0.89 FFAR4 (0.45) FFAR4RUNX1GPR3EPHX2KIF11
SCHEMBL16958715 0.83 PTGS1 (0.41) FFAR4POLBRUNX1GPR3PTGS1
SCHEMBL22562699 0.81 POLB (0.37) FFAR4POLBGPR3PTGS1PTGS2
SCHEMBL12135071 0.81 FFAR4 (0.42) FFAR4POLBRUNX1GPR3KIF11
SCHEMBL16951952 0.81 CHRM5 (0.42) FFAR4POLBRUNX1GPR3LMNA
SCHEMBL178386 0.81 NR1H2 (0.50) POLBGPR3PTGS1PTGS2NR1H2
SCHEMBL21835675 0.79 FFAR4 (0.41) FFAR4RUNX1GPR3EPHX2KIF11
SCHEMBL102182 0.79 FFAR4 (0.41) FFAR4RUNX1GPR3LMNAEPHX2
SCHEMBL16961968 0.79 TACR1 (0.46) FFAR4POLBRUNX1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2012-03-08 — — US disclosed
US-20100227861-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2010-09-09 — — US disclosed
WO-2008058126-A2 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-05-15 — — 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-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 FFAR4 3011/4885POLB 1882/4885RUNX1 3496/4885
US-20100227861-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 FFAR4 3100/4885POLB 1865/4885RUNX1 3286/4885

“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.