Sugi Predict

Sugi Predict / Compounds / SCHEMBL4255933

SCHEMBL4255933

SCHEMBL4255933

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.40
▸ PTGER4 P35408 2/20 0.40
▸ CASP3 P42574 4/20 0.39
▸ ABHD6 Q9BV23 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ PTGER3 P43115 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ P2RY14 Q15391 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ ALPL P05186 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KCNJ6 P48051 1/20 0.36
▸ KCNJ5 P48544 1/20 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
SCHEMBL13608159 0.93 CASP3 (0.39) PTGER4CASP3
SCHEMBL4249542 0.93 CASP3 (0.39) PTGER4CASP3
SCHEMBL4251514 0.90 NPBWR1 (0.40) NPBWR1PTGER4ABHD6SMN1; SMN2ALDH1A1
SCHEMBL4254506 0.89 ALDH1A1 (0.41) NPBWR1CASP3SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL13619963 0.89 NPBWR1 (0.42) NPBWR1PTGER4ABHD6SMN1; SMN2ALDH1A1
SCHEMBL13608161 0.89 ALDH1A1 (0.41) NPBWR1CASP3SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4249823 0.89 CASP3 (0.46) CASP3MEN1KMT2A
SCHEMBL4254351 0.88 CASP3 (0.40) CASP3POLBTP53
SCHEMBL4255723 0.88 CASP3 (0.42) CASP3SMN1; SMN2POLBKMT2ATP53
SCHEMBL4257238 0.87 PKM (0.41) PTGER4CASP3ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481537-B2 Caspase inhibitors based of pyridazinone scaffold LG LIFE SCIENCES LTD. (KR) 2013-07-09 — — US disclosed
US-8481537-B2 Caspase inhibitors based of pyridazinone scaffold LG LIFE SCIENCES LTD. (KR) 2013-07-09 — — US disclosed
US-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2009-11-26 — — US disclosed
US-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2009-11-26 — — US disclosed
EP-2046757-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG Life Sciences Ltd. (KR) 2009-04-15 — — EP disclosed
WO-2008016239-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2008-02-07 — — 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 (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 4356/4885PTGER4 3748/4885CASP3 5/4885

“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.