SCHEMBL4722305

SCHEMBL4722305

CC(C)NC(=O)c1coc(-c2c(-c3ccc(F)cc3)noc2C2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.41
MMP13 P45452 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40
POLB P06746 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
TRPV3 Q8NET8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4762509 0.87 HDAC6 (0.36) HDAC4MMP13HDAC6
SCHEMBL4718956 0.86 HPGD (0.41) MMP13JAK2JAK3PTK2POLB
SCHEMBL4791362 0.85 ACKR3 (0.41) HDAC4MMP13JAK2JAK3PTK2
SCHEMBL4717952 0.84 HDAC1 (0.41) HDAC6
SCHEMBL4721539 0.81 JAK2 (0.42) HDAC4MMP13JAK2JAK3PTK2
SCHEMBL4723642 0.77 POLB (0.46) HDAC4MMP13JAK2JAK3PTK2
SCHEMBL4762503 0.74 USP30 (0.40) HDAC4GPR119TRPV3HDAC6
SCHEMBL4814451 0.74 NR1H2 (0.37) LMNAALDH1A1TP53MAPT
SCHEMBL4760676 0.73 ENPP2 (0.42) MMP13JAK2JAK3PTK2POLB
SCHEMBL4832486 0.73 CPT1A (0.38) HDAC4

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 HDAC4 862/4885MMP13 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.