SCHEMBL4873262

SCHEMBL4873262

O=P(O)(O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ RORC P51449 4/20 0.54
▸ NR1H3 Q13133 5/20 0.47
▸ MLYCD O95822 3/20 0.46
▸ RORA P35398 3/20 0.45
▸ NR1H2 P55055 5/20 0.44
▸ RORB Q92753 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41
▸ PGK1 P00558 1/20 0.41
▸ PGK2 P07205 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL14255602 0.77 NPSR1 (0.54) SMN1; SMN2RORCNR1H3MLYCDRORA
SCHEMBL131990 0.74 NR1H2 (0.68) SMN1; SMN2NR1H3MLYCDNR1H2
SCHEMBL4882316 0.73 NR1H3 (0.50) SMN1; SMN2RORCNR1H3MLYCDNR1H2
SCHEMBL6487024 0.72 SMN1; SMN2 (0.61) SMN1; SMN2RORCNR1H3MLYCDRORA
SCHEMBL19112729 0.72 SMN1; SMN2 (0.56) SMN1; SMN2RORCNR1H3MLYCDRORA
Water SCHEMBL1684070 0.72 NR1H2 (0.65) SMN1; SMN2NR1H3MLYCDNR1H2
SCHEMBL2944332 0.72 NR1H3 (0.66) SMN1; SMN2RORCNR1H3MLYCDRORA
SCHEMBL3434346 0.72 SMN1; SMN2 (0.71) SMN1; SMN2RORCNR1H3MLYCDRORA
SCHEMBL2081375 0.70 SMN1; SMN2 (1.00) SMN1; SMN2RORCMLYCDRORARORB
SCHEMBL11626027 0.70 SMN1; SMN2 (0.69) SMN1; SMN2RORCMLYCDRORAEPHX2

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-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-03-20 — — US disclosed
US-20040063671-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-01 — — 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-20040063671-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators MLYCD, ACACA, ME1 SMN1; SMN2 2729/4885RORC 1674/4885NR1H3 1471/4885
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA SMN1; SMN2 2783/4885RORC 1595/4885NR1H3 1405/4885

“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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