SCHEMBL846953

SCHEMBL846953

O=Cc1ccc(S(=O)(=O)N2CCC(O)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.49
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
TDO2 P48775 2/20 0.47
HSD11B1 P28845 1/20 0.47
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
USP2 O75604 1/20 0.40
AKR1C1 Q04828 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39

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
SCHEMBL22042461 0.91 AKR1C3 (0.60) AKR1C3KCNH2HRH3HSD11B1MEN1
SCHEMBL847672 0.91 HSD11B1 (0.56) HSD11B1LMNAMEN1KMT2ATDP1
SCHEMBL17094974 0.83 ALDH1A1 (0.43) AKR1C3KCNH2HRH3TDO2LMNA
SCHEMBL15652694 0.83 ALDH1A1 (0.43) AKR1C3KCNH2HRH3TDO2LMNA
SCHEMBL14145466 0.81 TDO2 (0.52) AKR1C3KCNH2HRH3TDO2HSD11B1
SCHEMBL4516709 0.81 PKM (0.57) KCNH2HRH3HSD11B1LMNAKMT2A
SCHEMBL19563449 0.81 TDO2 (0.52) AKR1C3KCNH2HRH3TDO2HSD11B1
SCHEMBL21772288 0.81 AKR1C3 (0.54) AKR1C3KCNH2HRH3TDO2HSD11B1
SCHEMBL15539040 0.81 AKR1C3 (0.51) AKR1C3KCNH2HRH3TDO2HSD11B1
SCHEMBL5915284 0.81 LMNA (0.62) LMNAMEN1KMT2AMAPTCYP3A4

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 6 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
EP-2148862-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. Hoffmann-Roche AG (CH) 2010-02-03 EP disclosed
WO-2009015917-A2 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
WO-2008138920-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO 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 AKR1C3 1069/4885KCNH2 838/4885HRH3 367/4885

“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.