SCHEMBL4398802

SCHEMBL4398802

CC(C)(C)OC(=O)NCCCNC(=S)Nc1ccccc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
DRD2 P14416 5/20 0.43
ALOX12 P18054 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.41
BRD4 O60885 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL14120895 0.83 DRD2 (0.51) DRD2CYP3A4BRD4
SCHEMBL2061241 0.80 LMNA (0.50) GAALMNAPOLBKMT2A
SCHEMBL4394067 0.80 LMNA (0.60) GAASMN1; SMN2LMNAKMT2AHTT
SCHEMBL3232775 0.79 HDAC1 (0.49) SMN1; SMN2
SCHEMBL4392250 0.78 KMT2A (0.54) GAAALOX12SMN1; SMN2LMNAPOLB
SCHEMBL3224292 0.78 HDAC1 (0.48) SMN1; SMN2
SCHEMBL4396662 0.76 KMT2A (0.54) GAAALOX12SMN1; SMN2LMNAPOLB
SCHEMBL22040774 0.76 DRD2 (0.45) GAADRD2CYP3A4KMT2AMEN1
SCHEMBL6806828 0.76 ALDH1A1 (0.67) GAASMN1; SMN2LMNAPOLBKMT2A
SCHEMBL1258720 0.75 ALDH1A1 (0.53) GAASMN1; SMN2LMNAPOLBKMT2A

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 6 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
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

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 GAA 4650/4885DRD2 2293/4885ALOX12 237/4885
US-20050222226-A1 Five-membered cyclic compounds EPX, CCL11, CCR9 GAA 4668/4885DRD2 2344/4885ALOX12 215/4885

“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.