SCHEMBL24769840

SCHEMBL24769840

CC(C)(O)C(C#N)C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.50
EPHX2 P34913 1/20 0.50
TRPV1 Q8NER1 2/20 0.49
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
RORC P51449 1/20 0.44
KIF11 P52732 1/20 0.44
TGM2 P21980 1/20 0.44
NPC1 O15118 1/20 0.44
MAPK14 Q16539 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
PTGS1 P23219 1/20 0.42

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
SCHEMBL9395767 0.85 RAB9A (0.49) DHODHEPHX2TRPV1HTTALDH1A1
SCHEMBL9391041 0.79 CTSC (0.41) DHODHEPHX2TRPV1HTTLMNA
SCHEMBL10389192 0.78 EPHX2 (0.51) DHODHEPHX2TRPV1HTTALDH1A1
SCHEMBL2905610 0.78 DHODH (0.55) DHODHEPHX2TRPV1HTTALDH1A1
SCHEMBL29054967 0.77 DHODH (0.50) DHODHEPHX2TRPV1HTTALDH1A1
SCHEMBL10340303 0.76 DHODH (0.49) DHODHEPHX2TRPV1HTTALDH1A1
SCHEMBL10390169 0.76 DHODH (0.49) DHODHEPHX2TRPV1HTTALDH1A1
SCHEMBL11510708 0.75 MLYCD (0.65) EPHX2TRPV1HTTALDH1A1LMNA
SCHEMBL9818928 0.74 EPHX2 (0.50) DHODHEPHX2TRPV1RAB9ARORC
SCHEMBL10738492 0.73 EPHX2 (0.66) EPHX2TRPV1HTTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220387362-A1 COMPOSITIONS COMPRISING A DHODH INHIBITOR FOR THE TREATMENT OF ACUTE MYELOID LEUKEMIA RHIZEN PHARMACEUTICALS AG (CH) 2022-12-08 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 (1 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-20220387362-A1 COMPOSITIONS COMPRISING A DHODH INHIBITOR FOR THE TREATMENT OF ACUTE MYELOID LEUKEMIA DHODH, FLT3, IDH3A DHODH 1/4885EPHX2 558/4885TRPV1 4824/4885

“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.