SCHEMBL2829991

SCHEMBL2829991

NC(=S)NCCCN1CCCC1=O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 1/20 0.53
KMT2A Q03164 5/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
MEN1 O00255 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
USP2 O75604 1/20 0.51
RECQL P46063 1/20 0.51
TSHR P16473 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
SCHEMBL6202067 0.84 KMT2A (0.52) ALDH1A1GAAMAPTTDP1KMT2A
SCHEMBL11479783 0.82 KMT2A (0.67) ALDH1A1KMT2ARAB9ANPC1MEN1
SCHEMBL5656878 0.81 RAB9A (0.61) ALDH1A1GAAMAPTTDP1KMT2A
SCHEMBL6359808 0.80 RAB9A (0.60) ALDH1A1KMT2ARAB9ANPC1MEN1
SCHEMBL425352 0.79 RAB9A (0.60) ALDH1A1KMT2ARAB9ANPC1MEN1
SCHEMBL425351 0.79 SMN1; SMN2 (0.57) ALDH1A1KMT2ARAB9ANPC1MEN1
SCHEMBL18539298 0.78 KMT2A (0.50) ALDH1A1TDP1KMT2ARAB9ANPC1
SCHEMBL9851181 0.78 KMT2A (0.58) ALDH1A1KMT2ARAB9ANPC1MEN1
SCHEMBL4394146 0.78 KMT2A (0.52) ALDH1A1TDP1KMT2ARAB9ANPC1
SCHEMBL17057207 0.77 KMT2A (0.83) ALDH1A1KMT2ARAB9ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US disclosed
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 US disclosed
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
EP-2620150-A2 2-Amido Thiazole Based Inhibitors of ATP-Utilizing Enyzmes Genentech, Inc. (US) 2013-07-31 EP disclosed
EP-2168578-B1 Thiazole based inhibitors of ATP-utilizing enzymes GENENTECH INC (US) 2012-12-19 EP disclosed
US-7795290-B2 2-amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2010-09-14 US disclosed
EP-2168578-A2 2-Amido-Thiazole-Based Compounds Exhibiting ATP-Utilizing Enzyme Inhibitory Activity, and Compositions, and Uses Thereof Genentech, Inc. (US) 2010-03-31 EP disclosed
US-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF GENENTECH, INC. (US) 2009-02-19 US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US disclosed
US-7410988-B2 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2008-08-12 US disclosed
EP-1781287-A4 THIAZOLE BASED INHIBITORS OF ATP-UTILIZING ENYZMES GENENTECH INC (US) 2008-02-27 EP disclosed
EP-1709019-B1 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2007-08-08 EP disclosed
EP-1781287-A2 THIAZOLE BASED INHIBITORS OF ATP-UTILIZING ENYZMES Genentech, Inc. (US) 2007-05-09 EP disclosed
EP-1709019-A2 THIAZOLE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2006-10-11 EP disclosed
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof SQUARE 1 BANK 2006-03-09 US disclosed
WO-2006020767-A2 THIAZOLE BASED INHIBITORS OF ATP-UTILIZING ENZYMES GENENTECH, INC. (US) 2006-02-23 WO disclosed
WO-2005068444-A2 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-07-28 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 (4 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-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF PF4, TEC, PDGFRB ALDH1A1 234/4885GAA 4479/4885MAPT 4151/4885
US-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF ATP5ME, ATP5MG, ATP5MK ALDH1A1 554/4885GAA 59/4885MAPT 3561/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC ALDH1A1 174/4885GAA 3788/4885MAPT 1418/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK ALDH1A1 554/4885GAA 59/4885MAPT 3561/4885

“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.