SCHEMBL4396949

SCHEMBL4396949

CC(C)(C)OC(=O)NCCCNC(=S)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
LMNA P02545 4/20 0.64
MEN1 O00255 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HTT P42858 2/20 0.64
CDK1 P06493 1/20 0.58
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
MAPKAPK2 P49137 2/20 0.44
FPR3 P25089 1/20 0.44
FPR2 P25090 1/20 0.44
EPHX2 P34913 2/20 0.44

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
SCHEMBL4394067 0.86 LMNA (0.60) KMT2ALMNAMEN1SMN1; SMN2HTT
SCHEMBL13592326 0.85 CA1 (0.48) KMT2ALMNAMEN1SMN1; SMN2HTT
SCHEMBL5100819 0.85 ALDH1A1 (0.51) KMT2ALMNAMEN1SMN1; SMN2HTT
SCHEMBL4402193 0.85 CYP17A1 (0.49) KMT2ALMNAMEN1SMN1; SMN2HTT
SCHEMBL4392250 0.85 KMT2A (0.54) KMT2ALMNAMEN1SMN1; SMN2HTT
SCHEMBL5097622 0.84 ALDH1A1 (0.50) KMT2ALMNAMEN1SMN1; SMN2HTT
SCHEMBL23328386 0.82 CDK1 (0.56) KMT2ALMNAMEN1SMN1; SMN2HTT
SCHEMBL11778118 0.82 TDP1 (0.54) KMT2ALMNAMEN1SMN1; SMN2HTT
SCHEMBL4396662 0.82 KMT2A (0.54) KMT2ALMNAMEN1SMN1; SMN2HTT
SCHEMBL1258720 0.81 ALDH1A1 (0.53) KMT2ALMNAMEN1SMN1; SMN2HTT

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 KMT2A 2344/4885LMNA 4315/4885MEN1 4872/4885
US-20050222226-A1 Five-membered cyclic compounds EPX, CCL11, CCR9 KMT2A 2559/4885LMNA 3956/4885MEN1 4739/4885

“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.