SCHEMBL3487931

SCHEMBL3487931

CC(C)(C)OC(=O)c1cc2cc(N)ccc2o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.61
PIM1 P11309 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
BRCA1 P38398 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA2 P00918 1/20 0.43
TP53 P04637 2/20 0.41
MAPT P10636 3/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PIM2 Q9P1W9 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
SCHEMBL21612895 0.84 PIM1 (0.60) PIM1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL211674 0.83 FLT3 (0.67) FLT3LMNASMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6985335 0.81 FLT3 (0.65) FLT3LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL29926214 0.81 MAPT (0.60) FLT3SMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL23486859 0.81 PIM1 (0.41) FLT3PIM1LMNASMN1; SMN2KDM4E
SCHEMBL4252647 0.81 MAOB (0.49) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL8045831 0.81 LMNA (0.48) FLT3PIM1LMNASMN1; SMN2KDM4E
SCHEMBL27349246 0.80 PIM1 (0.71) FLT3PIM1KDM4EGAACA2
SCHEMBL8056509 0.80 LMNA (0.44) FLT3PIM1LMNASMN1; SMN2KDM4E
SCHEMBL16943491 0.79 CA12 (0.52) LMNAKDM4EALDH1A1GAACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728914-B Dioxopiperazine derivative, preparation method thereof and application thereof in medicines 深圳信立泰药业股份有限公司 2023-05-12 CN disclosed
CN-114728914-A Dioxopiperazine derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 CN disclosed
US-9758480-B2 1-(cycloalkyl-carbonyl)proline derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-12 US disclosed
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-07-30 US disclosed
US-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 US disclosed
EP-1838686-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073363-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO 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 (3 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-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR NR1H2, NR1H3, NR1I2 FLT3 3024/4885PIM1 3175/4885LMNA 3519/4885
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE RB1, F2, SFPQ FLT3 288/4885PIM1 2321/4885LMNA 2666/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 FLT3 2999/4885PIM1 3238/4885LMNA 3647/4885

“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.