SCHEMBL1236742

SCHEMBL1236742

COC(=O)CCCC(=O)Nc1nc(C)c(-c2ccc(S(=O)(=O)NCCN3CCOCC3)s2)s1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
NPC1 O15118 1/20 0.45
CLK1 P49759 1/20 0.45
RAB9A P51151 1/20 0.45
PIK3CG P48736 1/20 0.44
KMT2A Q03164 2/20 0.42
POLB P06746 3/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.41
PHGDH O43175 1/20 0.39
USP2 O75604 1/20 0.39
PI4KB Q9UBF8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA12 O43570 1/20 0.37
ABL1 P00519 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL1237245 0.86 PIK3CG (0.58) ALDH1A1TSHRNPC1CLK1RAB9A
SCHEMBL1614920 0.86 ALDH1A1 (0.47) ALDH1A1TSHRNPC1CLK1RAB9A
SCHEMBL1237616 0.78 KMT2A (0.50) ALDH1A1TSHRKMT2APOLBMAPK1
SCHEMBL1237544 0.71 PIK3CG (0.61) ALDH1A1TSHRNPC1CLK1RAB9A
SCHEMBL1613594 0.71 PIK3CG (0.56) ALDH1A1TSHRNPC1CLK1RAB9A
SCHEMBL14851718 0.70 PIK3CD (0.73) PIK3CGPI4KB
SCHEMBL1234690 0.69 PIK3CG (0.61) PIK3CGPI4KB
SCHEMBL16490590 0.69 PIK3CG (0.59) ALDH1A1TSHRNPC1CLK1RAB9A
SCHEMBL1234637 0.69 PIK3CG (0.53) ALDH1A1TSHRNPC1CLK1RAB9A
SCHEMBL1235063 0.68 PIK3CD (0.65) PIK3CGPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399497-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2013-03-19 US claimed
US-20110086843-A1 Thiazole Derivatives and Use Thereof MERCK SERONO SA (CH) 2011-04-14 US claimed
US-20080221180-A1 Thiazole Derivatives and Use Thereof LABORATORIES SERONO SA (CH) 2008-09-11 US claimed
US-8399497-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2013-03-19 US disclosed
US-8399497-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2013-03-19 US disclosed
US-20110086843-A1 Thiazole Derivatives and Use Thereof MERCK SERONO SA (CH) 2011-04-14 US disclosed
US-20110086843-A1 Thiazole Derivatives and Use Thereof MERCK SERONO SA (CH) 2011-04-14 US disclosed
US-7879888-B2 N-(4-methyl-5-{5-[(prop-2-yn-1-ylamino)sulfonyl]-2-thienyl}-1,3-thiazol-2-yl)acetamide; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial or viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection MERCK SERONO SA (CH) 2011-02-01 US disclosed
US-7879888-B2 N-(4-methyl-5-{5-[(prop-2-yn-1-ylamino)sulfonyl]-2-thienyl}-1,3-thiazol-2-yl)acetamide; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial or viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection MERCK SERONO SA (CH) 2011-02-01 US disclosed
US-7879888-B2 N-(4-methyl-5-{5-[(prop-2-yn-1-ylamino)sulfonyl]-2-thienyl}-1,3-thiazol-2-yl)acetamide; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial or viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection MERCK SERONO SA (CH) 2011-02-01 US disclosed
US-20080221180-A1 Thiazole Derivatives and Use Thereof LABORATORIES SERONO SA (CH) 2008-09-11 US disclosed
US-20080221180-A1 Thiazole Derivatives and Use Thereof LABORATORIES SERONO SA (CH) 2008-09-11 US disclosed
US-20080221180-A1 Thiazole Derivatives and Use Thereof LABORATORIES SERONO SA (CH) 2008-09-11 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 (2 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-20080221180-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC ALDH1A1 174/4885TSHR 697/4885NPC1 3530/4885
US-20110086843-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC ALDH1A1 174/4885TSHR 697/4885NPC1 3530/4885

“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.