SCHEMBL3566015

SCHEMBL3566015

CCOC(=O)c1cc2cc(-c3ccc(C(C)(C)C)cc3)ccc2n1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.51
PTGES O14684 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HSD11B1 P28845 4/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL3572268 0.87 PTGES (0.48) PTGESKMT2AMEN1HSD11B1POLB
SCHEMBL3567949 0.79 PTGES (0.52) PTGESRAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL3572573 0.79 PTGES (0.56) CYP2C9PTGESKMT2AMEN1RAB9A
SCHEMBL3578959 0.78 PTGES (0.77) CYP2C9PTGESKMT2AMEN1POLB
SCHEMBL3001562 0.77 PTGES (0.54) CYP2C9PTGESKMT2AMEN1RAB9A
SCHEMBL18501705 0.74 TSHR (0.69) KMT2AMEN1HSD11B1POLBALDH1A1
SCHEMBL3573984 0.72 PTGES (0.67) PTGESALDH1A1TSHR
Hydrochloric Acid SCHEMBL3572427 0.71 PTGES (0.62) CYP2C9PTGESKMT2AMEN1RAB9A
SCHEMBL7136125 0.70 NOD2 (0.55) CYP2C9KMT2AMEN1POLBALDH1A1
SCHEMBL12169362 0.70 LMNA (0.73) KMT2AMEN1HSD11B1POLBALDH1A1

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-7705023-B2 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2010-04-27 US disclosed
EP-1778632-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-08-20 EP disclosed
US-20070287715-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2007-12-13 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-20070287715-A1 Indoles Useful in the Treatment of Inflammation PTGS1, IDO1, PTGES CYP2C9 131/4885PTGES 3/4885KMT2A 4007/4885

“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.