SCHEMBL4822173

SCHEMBL4822173

CCOC(=O)c1nc(-c2ccc(F)cc2)sc1CC=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.58
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 5/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CRHBP P24387 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR2 Q13324 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRM6 O15303 1/20 0.44
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 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
SCHEMBL13437320 0.83 TRPM8 (0.58) TRPM8GABRA2GABRB2L3MBTL1MAPT
SCHEMBL18003089 0.76 L3MBTL1 (0.76) TRPM8L3MBTL1MAPTKDM4EMEN1
SCHEMBL6004481 0.75 PTGS2 (0.49) TRPM8GABRA2GABRB2L3MBTL1MAPT
SCHEMBL2885887 0.75 TRPM8 (0.78) TRPM8MAPTKDM4EMEN1HSP90AA1
SCHEMBL29911121 0.74 L3MBTL1 (0.57) TRPM8L3MBTL1MAPTKDM4EMEN1
SCHEMBL12049697 0.74 CDC7 (0.64) TRPM8L3MBTL1KDM4EMEN1KMT2A
SCHEMBL15049096 0.74 TRPM8 (1.00) TRPM8MAPTKDM4EMEN1HSP90AA1
SCHEMBL6004546 0.73 ALOX5 (0.47) TRPM8GABRA2GABRB2L3MBTL1MAPT
SCHEMBL13437332 0.73 TRPM8 (0.56) TRPM8L3MBTL1MAPTKDM4EMEN1
SCHEMBL4721385 0.73 TRPM8 (0.46) TRPM8GABRA2GABRB2L3MBTL1MAPT

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 TRPM8 3006/4885GABRA2 4813/4885GABRB2 4635/4885

“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.