SCHEMBL4719920

SCHEMBL4719920

COC(=O)c1sc(C)nc1-c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
PKM P14618 2/20 0.52
IKBKB O14920 1/20 0.51
PTGS2 P35354 3/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
CASP3 P42574 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
LMNA P02545 2/20 0.47
TRPM8 Q7Z2W7 1/20 0.45
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL1398686 0.88 GAA (0.50) ALDH1A1RAB9ANPC1SMN1; SMN2TRPM8
SCHEMBL203775 0.87 ALDH1A1 (0.60) ALDH1A1PKMPTGS2RAB9ANPC1
SCHEMBL1340065 0.86 TRPM8 (0.62) ALDH1A1PKMPTGS2RAB9ANPC1
SCHEMBL1918908 0.85 IKBKB (0.51) ALDH1A1PKMIKBKBPTGS2RAB9A
SCHEMBL6492363 0.85 PTGDR2 (0.55) ALDH1A1PKMPTGS2RAB9ANPC1
SCHEMBL276196 0.85 NTRK1 (0.57) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL12922064 0.83 TRPM8 (0.53) ALDH1A1PKMIKBKBPTGS2RAB9A
SCHEMBL1339569 0.83 PTGS2 (0.54) ALDH1A1PKMPTGS2RAB9ANPC1
SCHEMBL4761846 0.83 PTGS2 (0.54) ALDH1A1PKMIKBKBPTGS2RAB9A
SCHEMBL8791044 0.82 RORC (0.43) ALDH1A1PKMRAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 ALDH1A1 4346/4885PKM 1524/4885IKBKB 130/4885

“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.