SCHEMBL1314329

SCHEMBL1314329

CCOC(=O)c1cc2cc(-c3csc(C(=O)NCc4ccc(OC)cc4OC)c3)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MMP13 P45452 6/20 0.49
MMP2 P08253 4/20 0.49
MMP14 P50281 4/20 0.49
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ROCK2 O75116 1/20 0.43
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL12122261 0.93 MAPT (0.49) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL7923845 0.90 MAPT (0.49) KDM4EALDH1A1RAB9ANPC1MAPT
SCHEMBL1313687 0.86 KDM4E (0.54) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL1314480 0.86 ALDH1A1 (0.56) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL1316578 0.83 KDM4E (0.54) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL1314275 0.81 ALDH1A1 (0.54) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL1314345 0.81 ALDH1A1 (0.53) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL1314658 0.80 MMP13 (0.67) MMP13MMP2MMP14AURKAMMP10
SCHEMBL1315738 0.78 MMP13 (0.51) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL7924469 0.77 MAPT (0.51) KDM4EALDH1A1RAB9ANPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785489-B2 Heteroaryl substituted indole compounds useful as MMP-13 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-22 US disclosed
US-8785489-B2 Heteroaryl substituted indole compounds useful as MMP-13 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-22 US disclosed
US-20110275631-A1 Heteroaryl Substituted Indole Compounds Useful as MMP-13 Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
US-20110275631-A1 Heteroaryl Substituted Indole Compounds Useful as MMP-13 Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
EP-2340243-A1 HETEROARYL SUBSTITUTED INDOLE COMPOUNDS USEFUL AS MMP-13 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2011-07-06 EP disclosed
WO-2010045188-A1 HETEROARYL SUBSTITUTED INDOLE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 WO disclosed
WO-2010045188-A1 HETEROARYL SUBSTITUTED INDOLE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 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-20110275631-A1 Heteroaryl Substituted Indole Compounds Useful as MMP-13 Inhibitors MMP13, MMP3, MMP11 KDM4E 2155/4885ALDH1A1 311/4885HPGD 79/4885

“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.