SCHEMBL4877480

SCHEMBL4877480

CC(C)N(C(=O)c1nc(CO)sc1-c1ccc(F)cc1)c1cnc[nH]1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.36
HCRTR2 O43614 4/20 0.36
TAAR1 Q96RJ0 1/20 0.35
CYP17A1 P05093 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK14 Q16539 2/20 0.34
PTGS2 P35354 4/20 0.33
PTGS1 P23219 1/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FNTA P49354 1/20 0.31
PGGT1B P53609 1/20 0.31

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
SCHEMBL4868024 0.90 TAAR1 (0.36) HCRTR1HCRTR2TAAR1CYP17A1CYP3A4
SCHEMBL4762449 0.88 HCRTR1 (0.34) HCRTR1HCRTR2TAAR1CYP17A1CYP3A4
SCHEMBL6004205 0.88 HCRTR1 (0.44) HCRTR1HCRTR2CYP17A1CYP3A4PTGS2
SCHEMBL4761322 0.86 KDM4E (0.38) HCRTR1HCRTR2TAAR1CYP17A1CYP3A4
SCHEMBL6002817 0.85 MAPK14 (0.35) HCRTR1HCRTR2MAPK14
SCHEMBL4762646 0.84 TSHR (0.34) HCRTR1HCRTR2MAPK14
SCHEMBL1258223 0.71 MAPK14 (0.45) MAPK14PTGS2PTGS1
SCHEMBL12650769 0.64 GPR52 (0.43) MAPK14PTGS2PTGS1
SCHEMBL15947007 0.61 MAPK14 (0.43) MAPK14PTGS2PTGS1
SCHEMBL7841727 0.60 PTGS2 (0.79) PTGS2PTGS1

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 HCRTR1 2920/4885HCRTR2 2722/4885TAAR1 2079/4885

“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.