SCHEMBL4389947

SCHEMBL4389947

COc1cc(NC(=S)NCCCNC(=O)OC(C)(C)C)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 3/20 0.53
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.44
DRD2 P14416 3/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL31203480 0.82 CA1 (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1DRD2
SCHEMBL4947001 0.80 ALDH1A1 (0.43) ALDH1A1GAADRD2TDP1CA12
SCHEMBL14494975 0.79 ALDH1A1 (0.51) ALDH1A1GAASMN1; SMN2HPGDKMT2A
SCHEMBL4392250 0.79 KMT2A (0.54) ALDH1A1GAASMN1; SMN2HPGDKMT2A
SCHEMBL30438953 0.77 KMT2A (0.77) SMN1; SMN2KMT2AMEN1TDP1
SCHEMBL4402193 0.77 CYP17A1 (0.49) QPCTGAASMN1; SMN2KMT2AMEN1
SCHEMBL4396662 0.76 KMT2A (0.54) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL4403159 0.76 TDP1 (0.43) ALDH1A1GAAHPGDKMT2AMEN1
SCHEMBL1258720 0.75 ALDH1A1 (0.53) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL31300041 0.75 ALDH1A1 (0.59) ALDH1A1GAASMN1; SMN2HPGD

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 QPCT 1929/4885ALDH1A1 3257/4885GAA 4650/4885
US-20050222226-A1 Five-membered cyclic compounds EPX, CCL11, CCR9 QPCT 2058/4885ALDH1A1 3404/4885GAA 4668/4885

“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.