SCHEMBL4393086

SCHEMBL4393086

COc1ccc(NC(=S)NCCCNC(=O)OC(C)(C)C)nc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.45
CA12 O43570 6/20 0.45
CA1 P00915 6/20 0.45
CA2 P00918 6/20 0.45
CA9 Q16790 6/20 0.45
DYRK1A Q13627 1/20 0.43
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
BRD4 O60885 3/20 0.41
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
QPCT Q16769 2/20 0.39
MEN1 O00255 1/20 0.39
PABPC1 P11940 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4399373 0.86 RAB9A (0.54) CA12CA1CA2CA9STK17B
SCHEMBL4398713 0.81 POLB (0.58) KDM4ENPC1RAB9AQPCT
SCHEMBL8228538 0.80 DEGS1 (0.49) DYRK1ANPC1RAB9AMEN1KMT2A
SCHEMBL4400612 0.78 POLB (0.58) KDM4ENPC1RAB9ATDP1QPCT
SCHEMBL31300041 0.77 ALDH1A1 (0.59) RAB9AMAPT
SCHEMBL12892631 0.75 KMT2A (0.49) NPC1RAB9AMAPTKMT2A
SCHEMBL30069403 0.75 CA12 (0.48) CPB2CA12CA1CA2CA9
SCHEMBL21744742 0.75 CA12 (0.48) CPB2CA12CA1CA2CA9
SCHEMBL4402193 0.74 CYP17A1 (0.49) CA12CA1CA2CA9MAPKAPK2
SCHEMBL4392250 0.73 KMT2A (0.54) CA1CA2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300401-B1 THIAZOLE DERIVATIVES FOR USE AS ANTIINFLAMMATORIES DAINIPPON SUMITOMO PHARMA CO (JP) 2009-12-09 EP disclosed
US-7396842-B2 Five-membered cyclic compounds DIANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-08 US disclosed
US-7396842-B2 Five-membered cyclic compounds DIANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-08 US disclosed
EP-1669070-A2 2-imino-thiazolidine and -oxazolidine derivatives for use as antiinflammatory agents Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-06-14 EP disclosed
US-20050222226-A1 Five-membered cyclic compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED 2005-10-06 US disclosed
US-6919361-B2 Five-membered-ring compound SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-07-19 US disclosed
US-20040072827-A1 Five-membered-ring compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2004-04-15 US disclosed
EP-1300401-A1 FIVE-MEMBERED-RING COMPOUND SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-04-09 EP 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-20040072827-A1 Five-membered-ring compound EPX, IL5, CCR9 CPB2 4111/4885CA12 3892/4885CA1 2736/4885
US-20050222226-A1 Five-membered cyclic compounds EPX, CCL11, CCR9 CPB2 3988/4885CA12 3595/4885CA1 2846/4885

“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.