SCHEMBL4871002

SCHEMBL4871002

CONC(=O)c1csc(-n2nccc2C2CCN(C(=O)OC(C)(C)C)CC2c2ccc(F)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.39
JAK2 O60674 3/20 0.37
JAK1 P23458 3/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
USP30 Q70CQ3 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL6004607 0.91 ENPP2 (0.38) ENPP2JAK2JAK1LMNAMAPT
SCHEMBL6005068 0.87 ENPP2 (0.38) ENPP2JAK2JAK1LMNAMAPT
SCHEMBL6004587 0.85 OGA (0.36)
SCHEMBL6004467 0.76 TP53 (0.43) ENPP2LMNAMAPTTP53THRB
SCHEMBL4832476 0.72 USP30 (0.40) ENPP2JAK2JAK1HDAC1HDAC2
SCHEMBL16827770 0.72 POLB (0.50) LMNAMAPTTP53THRBPOLB
SCHEMBL16827670 0.72 POLB (0.50) LMNAMAPTTP53THRBPOLB
SCHEMBL14372754 0.69 HDAC1 (0.47) JAK2JAK1HDAC1HDAC2
SCHEMBL14372756 0.69 HDAC1 (0.47) JAK2JAK1HDAC1HDAC2
SCHEMBL19893341 0.69 HDAC1 (0.48) JAK2JAK1HDAC1HDAC2

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 ENPP2 266/4885JAK2 122/4885JAK1 69/4885

“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.