SCHEMBL10154029

SCHEMBL10154029

CNC(=O)CCS(=O)(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.68
HTT P42858 1/20 0.59
HSD11B1 P28845 1/20 0.59
POLB P06746 5/20 0.57
RAB9A P51151 3/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
MAPT P10636 1/20 0.56
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55

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
SCHEMBL10494856 0.84 ALDH1A1 (0.62) L3MBTL1HTTPOLBRAB9ACA12
SCHEMBL6580386 0.84 HDAC3 (0.76) L3MBTL1HTTHSD11B1POLBRAB9A
SCHEMBL1939145 0.83 MMP1 (0.62) HTTHSD11B1POLBMMP1KMT2A
SCHEMBL25209834 0.82 HTT (0.68) L3MBTL1HTTHSD11B1POLBRAB9A
SCHEMBL7922108 0.81 KMT2A (0.62) L3MBTL1HSD11B1POLBCA12CA1
SCHEMBL6915414 0.79 ALDH1A1 (0.66) L3MBTL1HTTHSD11B1POLBRAB9A
SCHEMBL1001018 0.79 HSD11B1 (0.69) L3MBTL1HTTHSD11B1POLBRAB9A
SCHEMBL28101227 0.79 MAPT (0.59) L3MBTL1HTTHSD11B1MAPTHDAC3
SCHEMBL5214593 0.77 MAPT (0.62) L3MBTL1HTTHSD11B1POLBRAB9A
Hydrochloric Acid SCHEMBL10584023 0.77 HSD11B1 (0.67) L3MBTL1HTTHSD11B1POLBRAB9A

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-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 WO disclosed
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
US-7488752-B2 nor-seco himbacine derivatives; thrombosis, anticoagulants, anticancer agents; antiinflammatory agents; anticholesterol agents; cardiovascular disorders; antiarrhythmia agents; antiischemic agents; strokes; antiarthritic agents SCHERING CORPORATION (US) 2009-02-10 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA L3MBTL1 1818/4885HTT 4317/4885HSD11B1 1208/4885

“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.