SCHEMBL6825294

SCHEMBL6825294

Cc1ccc(S(=O)(=O)n2cc(-c3cccc(NC(=O)Nc4ccccc4C(F)(F)F)c3)cc2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.44
▸ MGLL Q99685 3/20 0.42
▸ IDH2 P48735 7/20 0.41
▸ ITGB1 P05556 2/20 0.39
▸ ITGA4 P13612 2/20 0.39
▸ DDX3X O00571 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ SLC1A1 P43005 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL6828538 0.89 MGLL (0.51) TP53MGLLIDH2MEN1LMNA
SCHEMBL6828214 0.88 MGLL (0.46) MGLLMAPTOPRM1OPRD1
SCHEMBL6828530 0.82 RXFP1 (0.48) TP53MGLLMEN1LMNAMAPT
SCHEMBL6828518 0.80 MAPT (0.46) TP53MGLLLMNAPOLBMAPT
SCHEMBL6828344 0.78 MAPT (0.44) LMNAMAPTSLC1A3SLC1A2SLC1A1
SCHEMBL6828206 0.78 MAPT (0.47) LMNAMAPTHTTKMT2ASLC1A3
SCHEMBL6828522 0.77 THRB (0.45) TP53LMNAMAPTKMT2AOPRM1
SCHEMBL6825513 0.77 MAPT (0.47) MGLLPOLBMAPTSLC1A3SLC1A2
SCHEMBL6828202 0.74 MAPT (0.46) LMNAMAPTSLC1A3SLC1A2SLC1A1
SCHEMBL6828215 0.74 MAPT (0.51) LMNAPOLBMAPTSMN1; SMN2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138269-A1 Substituted pyrroles as kinase inhibitors SUGEN, INC. 2004-07-15 — — US claimed
US-20040138269-A1 Substituted pyrroles as kinase inhibitors SUGEN, INC. 2004-07-15 — — 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-20040138269-A1 Substituted pyrroles as kinase inhibitors PHKG1, PHKG2, MAP3K20 TP53 1698/4885MGLL 2599/4885IDH2 1223/4885

“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.

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