SCHEMBL1630749

SCHEMBL1630749

CC(C)(C)OC(=O)NCCCNc1cc(C(Sc2ccc(Cl)cc2)c2cc(F)ccc2F)c(Cl)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.47
STK17A Q9UEE5 1/20 0.47
ACVR1B P36896 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
BRD4 O60885 3/20 0.37
DRD2 P14416 5/20 0.37
IDO1 P14902 2/20 0.37
CCNT1 O60563 1/20 0.35
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
P2RY2 P41231 1/20 0.34

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
SCHEMBL1633155 0.95 ACVR1B (0.40) STK17BSTK17AACVR1BTGFBR1ACVRL1
SCHEMBL1632760 0.88 CCNT1 (0.39) STK17BSTK17AACVR1BTGFBR1ACVRL1
SCHEMBL1633911 0.85 STK17B (0.39) STK17BSTK17AACVR1BTGFBR1ACVRL1
SCHEMBL1632538 0.83 STK17B (0.46) STK17BSTK17AACVR1BTGFBR1ACVRL1
SCHEMBL1633056 0.82 CCNT1 (0.44) CCNT1KDM4EKMT2ALMNAMEN1
SCHEMBL1633005 0.81 CCNT1 (0.40) CCNT1JAK2
SCHEMBL12724241 0.80 CDK9 (0.40)
SCHEMBL1631163 0.79 ABL1 (0.38) CCNT1KDM4EKMT2ALMNAMEN1
SCHEMBL1632382 0.79 PSEN1 (0.33) KMT2AMEN1ALDH1A1HTTJAK2
SCHEMBL1631929 0.78 PSEN1 (0.42) STK17BSTK17AACVR1BTGFBR1ACVRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932271-B2 Heterocyclic methyl sulfone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-7932271-B2 Heterocyclic methyl sulfone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-7932271-B2 Heterocyclic methyl sulfone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-20060241302-A1 Morpholine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-10-26 US disclosed
EP-1640366-A1 HETEROCYCLIC METHYL SULFONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-03-29 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 (1 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-20060241302-A1 Morpholine derivatives APP, BACE1, SMS STK17B 850/4885STK17A 696/4885ACVR1B 758/4885

“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.