SCHEMBL4568026

SCHEMBL4568026

CCOc1ccc(C)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NLRP3 Q96P20 1/20 0.47
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
EPHX1 P07099 1/20 0.43
BRD4 O60885 1/20 0.42
PLAU P00749 1/20 0.42
HTT P42858 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL7966118 0.89 SMN1; SMN2 (0.52) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5556756 0.85 AAK1 (0.46) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4568017 0.84 GAA (0.50) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL23916241 0.83 KLKB1 (0.43) MAPTMEN1KMT2ANLRP3ALDH1A1
SCHEMBL22626751 0.83 NPC1 (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL28626965 0.82 AAK1 (0.46) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL14358948 0.82 ALDH1A1 (0.43) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5557165 0.81 SMN1; SMN2 (0.56) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4568018 0.81 NLRP3 (0.55) NLRP3ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL4568009 0.80 NLRP3 (0.46) NLRP3ALDH1A1SMN1; SMN2LMNANPSR1

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
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R MAPT 3199/4885MEN1 2993/4885KMT2A 2056/4885

“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.