SCHEMBL13619963

SCHEMBL13619963

CCC(C(=O)NC(C(=O)O)C(=O)CF)c1ccnn(Cc2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.42
ABHD6 Q9BV23 1/20 0.40
PTGER4 P35408 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGER3 P43115 1/20 0.39
KDM4E B2RXH2 1/20 0.39
P2RY14 Q15391 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KCNJ6 P48051 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 2/20 0.36

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
SCHEMBL4255933 0.89 NPBWR1 (0.40) NPBWR1ABHD6PTGER4SMN1; SMN2ALDH1A1
SCHEMBL13619190 0.88 KMT2A (0.39) PTGER4SMN1; SMN2ALDH1A1MEN1CYP1A2
SCHEMBL13619403 0.88 PTGDR2 (0.38) SMN1; SMN2MEN1POLBKMT2AMAPT
SCHEMBL4251514 0.84 NPBWR1 (0.40) NPBWR1ABHD6PTGER4SMN1; SMN2ALDH1A1
SCHEMBL4249542 0.82 CASP3 (0.39) PTGER4
SCHEMBL13608159 0.82 CASP3 (0.39) PTGER4
SCHEMBL13619431 0.80 POLB (0.40) SMN1; SMN2ALDH1A1MEN1POLBKMT2A
SCHEMBL4253857 0.80 NPBWR1 (0.49) NPBWR1ABHD6SMN1; SMN2ALDH1A1MEN1
SCHEMBL4252752 0.78 NPBWR1 (0.33) NPBWR1ABHD6PTGER4SMN1; SMN2
SCHEMBL13608161 0.77 ALDH1A1 (0.41) NPBWR1SMN1; SMN2ALDH1A1CYP1A2CYP3A4

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-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2009-11-26 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-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD CASP1, CASP2, CASP5 NPBWR1 4356/4885ABHD6 3568/4885PTGER4 3748/4885

“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.