SCHEMBL6997953

SCHEMBL6997953

CCOC(=O)c1c(N)sc2c1CCN(C(C)=O)C2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.73
MAPT P10636 10/20 0.62
ALDH1A1 P00352 8/20 0.62
GAA P10253 7/20 0.62
HPGD P15428 6/20 0.62
KDM4E B2RXH2 5/20 0.62
HSD17B10 Q99714 3/20 0.62
ALOX15 P16050 3/20 0.62
MAPK1 P28482 1/20 0.62
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
LMNA P02545 1/20 0.61
POLB P06746 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
TSHR P16473 2/20 0.56
ALOX12 P18054 1/20 0.56
BPTF Q12830 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
RECQL P46063 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL970355 0.91 ADORA1 (0.83) ADORA1MAPTALDH1A1GAAHPGD
SCHEMBL19475087 0.90 ADORA1 (0.73) ADORA1MAPTALDH1A1GAAHPGD
SCHEMBL938054 0.85 ADORA1 (1.00) ADORA1MAPTALDH1A1GAAHPGD
SCHEMBL4504119 0.85 ALDH1A1 (0.67) ADORA1MAPTALDH1A1GAAHPGD
SCHEMBL10859421 0.85 ADORA1 (0.69) ADORA1MAPTALDH1A1GAAHPGD
SCHEMBL10856142 0.84 ADORA1 (0.72) ADORA1MAPTALDH1A1GAAHPGD
SCHEMBL16007549 0.84 ADORA1 (0.72) ADORA1MAPTALDH1A1GAAHPGD
SCHEMBL6993930 0.84 MAPT (0.72) ADORA1MAPTALDH1A1GAAHPGD
SCHEMBL6318321 0.83 ADORA1 (0.68) ADORA1MAPTALDH1A1GAAHPGD
SCHEMBL4132004 0.82 ADORA1 (0.67) ADORA1MAPTALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-7749996-B2 Heterotricyclic metalloprotease inhibitors Alantos Pharmaceutical Holdings, Inc. (US) 2010-07-06 US disclosed
US-7749996-B2 Heterotricyclic metalloprotease inhibitors Alantos Pharmaceutical Holdings, Inc. (US) 2010-07-06 US disclosed
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-04-08 US disclosed
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-04-08 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 US disclosed
WO-2008063667-A1 HETEROTRICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
WO-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 WO disclosed
EP-0927184-B1 3-SUBSTITUTED PYRIDO 4',3':4,5]THIENO 2,3-D]PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE ABBOTT GMBH & CO KG (DE) 2003-10-22 EP disclosed
US-6387912-B1 STROKE THERAPY BASF AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
WO-2002002568-A1 PYRIMIDINE DERIVATIVES AND THEIR USE FOR PREVENTING AND TREATING CEREBRAL ISCHAEMIA KNOLL GMBH (DE) 2002-01-10 WO disclosed
US-6222034-B1 AS SEROTININ RECEPTOR ANTAGONISTS; FOR THERAPY OF DEPRESSION, CENTRAL NERVOUS SYSTEM DISORDERS BASF AKTIENGESELLSCHAFT (DE) 2001-04-24 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 (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-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 ADORA1 2687/4885MAPT 3878/4885ALDH1A1 1908/4885
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 ADORA1 2687/4885MAPT 3878/4885ALDH1A1 1908/4885
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 ADORA1 2687/4885MAPT 3878/4885ALDH1A1 1908/4885

“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.