SCHEMBL4402193

SCHEMBL4402193

CC(C)(C)OC(=O)NCCCNC(=S)Nc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.49
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
EPHX1 P07099 1/20 0.47
MAPKAPK2 P49137 3/20 0.46
GAA P10253 1/20 0.45
CYP3A4 P08684 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 2/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
QPCT Q16769 1/20 0.44
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43

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
SCHEMBL4392250 0.87 KMT2A (0.54) CA1CA2GAAKMT2AMEN1
SCHEMBL4396949 0.85 KMT2A (0.64) CA1CA2MAPKAPK2GAAKMT2A
SCHEMBL4396662 0.84 KMT2A (0.54) CA1CA2GAATDP1KMT2A
SCHEMBL4402016 0.84 CA1 (0.50) CYP17A1CA1CA2CYP3A4TDP1
SCHEMBL1258720 0.83 ALDH1A1 (0.53) CA1CA2EPHX1GAATDP1
SCHEMBL5100819 0.82 ALDH1A1 (0.51) CA1CA2GAATDP1KMT2A
SCHEMBL4700870 0.81 TDP1 (0.53) CYP17A1CA1CA2GAACYP3A4
SCHEMBL4401844 0.81 KMT2A (0.56) GAACYP3A4KMT2AMEN1LMNA
SCHEMBL31203373 0.81 CA1 (0.61) CYP17A1CA1CA2CYP3A4TDP1
SCHEMBL5097622 0.81 ALDH1A1 (0.50) CA1CA2GAATDP1KMT2A

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 CYP17A1 550/4885KEAP1 544/4885NFE2L2 223/4885
US-20050222226-A1 Five-membered cyclic compounds EPX, CCL11, CCR9 CYP17A1 602/4885KEAP1 517/4885NFE2L2 240/4885

“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.