SCHEMBL3000614

SCHEMBL3000614

CCOC(=O)c1cc2cc(-c3ccc(C(F)(F)F)cn3)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.58
MMP2 P08253 6/20 0.58
MMP14 P50281 4/20 0.58
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
NPC1 O15118 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL333745 0.86 MMP13 (0.74) MMP13MMP2MMP14KDM4EALDH1A1
SCHEMBL30719997 0.83 KDM4E (0.68) MMP13MMP2MMP14KDM4EALDH1A1
SCHEMBL926927 0.83 KDM4E (0.68) MMP13MMP2MMP14KDM4EALDH1A1
SCHEMBL3001445 0.79 KDM4E (0.51) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3003068 0.79 KDM4E (0.51) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3006436 0.78 MMP13 (0.72) MMP13MMP2MMP14KDM4EALDH1A1
SCHEMBL31287683 0.77 KDM4E (0.66) MMP13MMP2MMP14KDM4EALDH1A1
SCHEMBL29619390 0.76 ALOX15 (0.65) MMP13MMP2MMP14KDM4EALDH1A1
SCHEMBL2139103 0.76 ALOX15 (0.65) MMP13MMP2MMP14KDM4EALDH1A1
SCHEMBL3571495 0.76 MMP13 (0.69) MMP13MMP2MMP14KDM4EALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197687-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-08-05 US disclosed
US-7705023-B2 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2010-04-27 US disclosed
EP-1778633-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-12-03 EP disclosed
EP-1778632-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-08-20 EP disclosed
US-20080188473-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2008-08-07 US disclosed
US-20070287715-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2007-12-13 US disclosed
EP-1841736-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
EP-1778632-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-05-02 EP disclosed
EP-1778633-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-05-02 EP disclosed
WO-2006077367-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed
WO-2005123673-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 WO disclosed
WO-2005123674-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 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 (3 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-20100197687-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, TPH1 MMP13 819/4885MMP2 1098/4885MMP14 1279/4885
US-20070287715-A1 Indoles Useful in the Treatment of Inflammation PTGS1, IDO1, PTGES MMP13 879/4885MMP2 822/4885MMP14 1949/4885
US-20080188473-A1 Indoles Useful in the Treatment of Inflammation IDO1, PTGS1, PTGER1 MMP13 1146/4885MMP2 1017/4885MMP14 2497/4885

“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.