SCHEMBL846997

SCHEMBL846997

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C=O)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 14/20 0.65
F13A1 P00488 11/20 0.65
TGM1 P22735 8/20 0.65
PKM P14618 2/20 0.52
POLB P06746 1/20 0.50
TGM3 Q08188 1/20 0.49
STS P08842 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GPR119 Q8TDV5 1/20 0.48

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
SCHEMBL18410584 0.85 TGM2 (0.65) TGM2F13A1TGM1PKMPOLB
SCHEMBL29060791 0.84 TGM2 (0.64) TGM2F13A1TGM1PKMPOLB
SCHEMBL1181084 0.84 PKM (0.73) TGM2F13A1TGM1PKM
SCHEMBL27200534 0.84 TGM2 (0.64) TGM2F13A1TGM1PKMPOLB
SCHEMBL710366 0.84 TGM2 (0.64) TGM2F13A1TGM1PKM
SCHEMBL3910274 0.84 TGM2 (0.64) TGM2F13A1TGM1PKMPOLB
SCHEMBL5253160 0.84 POLB (0.70) TGM2F13A1TGM1POLBSTS
SCHEMBL1684972 0.84 TGM2 (0.69) TGM2F13A1TGM1PKMPOLB
SCHEMBL2252120 0.84 TGM2 (0.63) TGM2F13A1TGM1GPR119
SCHEMBL18153290 0.83 PKM (0.66) TGM2F13A1TGM1PKMSTS

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
US-8163906-B2 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO, LLC (US) 2012-04-24 US disclosed
EP-2148862-B1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2012-03-28 EP disclosed
US-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO LLC 2008-11-20 US 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-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK MAPK9, MAPK10, MAPK1 TGM2 4435/4885F13A1 4462/4885TGM1 3036/4885

“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.