Sugi Predict

Sugi Predict / Compounds / SCHEMBL4180618

SCHEMBL4180618

SCHEMBL4180618

CS(=O)(=O)c1ccc(-c2nnc(-c3ccc(C(F)(F)F)cc3NCc3ccncc3)[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 15/20 0.52
▸ PTGS1 P23219 2/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ SLC22A12 Q96S37 1/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ RAF1 P04049 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ MAPK12 P53778 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39

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
SCHEMBL13605666 0.83 PTGS2 (0.48) PTGS2PTGS1FLT1KDRMAPK11
SCHEMBL4177977 0.76 PTGS2 (0.43) PTGS2PTGS1PTGDR2
SCHEMBL4180617 0.76 PTGS2 (0.39) PTGS2PTGS1PTGDR2SLC22A12MAPK13
SCHEMBL4182513 0.74 GAA (0.42) PTGS2PTGDR2
SCHEMBL4163261 0.69 MEN1 (0.49) FLT1KDR
SCHEMBL4178548 0.69 ALDH1A1 (0.50) ABL1EGFRCSF1RPDGFRBKIT
SCHEMBL5788345 0.68 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL4179144 0.68 PTGS2 (0.49) PTGS2PTGS1KDRMAPK11MAPK14
SCHEMBL4177417 0.68 ADRA2C (0.59) ADRA1AFLT1KDR
SCHEMBL4178035 0.67 PDE5A (0.48) PTGS2PTGS1KDR

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-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 — — US disclosed
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 — — US disclosed
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 — — US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 — — US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 — — US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 — — 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-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS TP53, MCL1, VHL PTGS2 1129/4885PTGS1 835/4885ADRA1A 4506/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL PTGS2 1129/4885PTGS1 835/4885ADRA1A 4506/4885

“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.