SCHEMBL4721385

SCHEMBL4721385

CCOC(=O)c1nc(-c2c(-c3ccc(F)cc3)noc2C)sc1CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.46
MLYCD O95822 1/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
SLC26A6 Q9BXS9 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
PKM P14618 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
SCHEMBL6004481 0.80 PTGS2 (0.49) TRPM8KDM4EALDH1A1HPGDLMNA
SCHEMBL6002782 0.79 RAB9A (0.50) TRPM8KDM4EALDH1A1HPGDLMNA
SCHEMBL6004426 0.79 TRPM8 (0.47) TRPM8KDM4EALDH1A1HPGDLMNA
SCHEMBL6004546 0.78 ALOX5 (0.47) TRPM8KDM4EALDH1A1HPGDLMNA
SCHEMBL4720409 0.78 TRPM8 (0.44) TRPM8KDM4EALDH1A1HPGDLMNA
SCHEMBL4760800 0.75 KDM4E (0.49) TRPM8MLYCDKDM4EALDH1A1HPGD
SCHEMBL286034 0.74 ALDH1A1 (0.61) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL18003089 0.73 L3MBTL1 (0.76) TRPM8KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4822173 0.73 TRPM8 (0.58) TRPM8KDM4EALDH1A1HPGDLMNA
SCHEMBL13437320 0.73 TRPM8 (0.58) TRPM8KDM4EALDH1A1HPGDSMN1; 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 TRPM8 3006/4885MLYCD 4035/4885KDM4E 3178/4885

“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.