SCHEMBL2798644

SCHEMBL2798644

Cc1[c]cnc(C(=O)NCO)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.36
EGLN1 Q9GZT9 1/20 0.33
POLB P06746 2/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CNR1 P21554 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL2800183 0.89 CNR1 (0.43) MMP13POLBMEN1KMT2ARAB9A
SCHEMBL4930787 0.81 BAZ2B (0.43) POLBRAB9ACNR1CYP1A2CYP2C19
SCHEMBL2800179 0.75 KDM4C (0.36) MEN1KMT2ACNR1
SCHEMBL2800123 0.73 LMNA (0.36) POLBKMT2AL3MBTL1
SCHEMBL4922006 0.71 CYP1A2 (0.47) POLBMEN1KMT2ARAB9ACYP1A2
SCHEMBL2798141 0.63 EGLN1 (0.40) EGLN1THRBRAB9ACYP1A2CYP2C19
SCHEMBL14875993 0.63 EGLN1 (0.57) EGLN1HDAC3HDAC1HDAC2
SCHEMBL4926668 0.62 BAZ2B (0.42) MEN1KMT2ARAB9ACNR1CYP1A2
SCHEMBL4926449 0.62 HPGD (0.40) THRBRAB9ACNR1CYP1A2CYP2C19
SCHEMBL1859032 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2204365-A1 ALKYLSULFONE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-07-07 EP disclosed
US-20100168136-A1 ALKYLSULFONE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-07-01 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 (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-20100168136-A1 ALKYLSULFONE DERIVATIVES BACE1, APP, AMY1A MMP13 2376/4885EGLN1 3247/4885POLB 4242/4885

“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.