SCHEMBL4723642

SCHEMBL4723642

CC(C)(C)OC(=O)N1CCC(c2onc(-c3ccc(F)cc3)c2I)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MMP13 P45452 1/20 0.46
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
PTK2 Q05397 1/20 0.45
GPR119 Q8TDV5 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.45
HDAC4 P56524 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
THRB P10828 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44

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
SCHEMBL4827696 0.82 GRM5 (0.42) POLBGPR119
SCHEMBL4789971 0.81 POLB (0.44) POLBMMP13JAK2JAK3PTK2
SCHEMBL30730621 0.79 GPR119 (0.53) POLBGPR119SMN1; SMN2
SCHEMBL4420449 0.78 LMNA (0.61) POLBGPR119MEN1KMT2AHDAC4
SCHEMBL4721165 0.78 ALDH1A1 (0.42) POLBMMP13JAK2JAK3PTK2
SCHEMBL4721539 0.78 JAK2 (0.42) POLBMMP13JAK2JAK3PTK2
SCHEMBL4718956 0.77 HPGD (0.41) POLBMMP13JAK2JAK3PTK2
SCHEMBL4722305 0.77 HDAC4 (0.41) POLBMMP13JAK2JAK3PTK2
SCHEMBL4760676 0.76 ENPP2 (0.42) POLBMMP13JAK2JAK3PTK2
SCHEMBL4791362 0.76 ACKR3 (0.41) POLBMMP13JAK2JAK3PTK2

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 POLB 1356/4885MMP13 507/4885JAK2 122/4885

“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.