SCHEMBL8367487

SCHEMBL8367487

CC(C)(C)C1CSCc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.32
HTR2A P28223 5/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PDPK1 O15530 1/20 0.31
ACHE P22303 1/20 0.30
HRH1 P35367 2/20 0.30

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
SCHEMBL18289378 0.76 HTR2A (0.36) HTR2A
SCHEMBL13198511 0.75 HTR2A (0.43) ALDH1A1MAPTHPGDALOX12TDP1
SCHEMBL7299426 0.71 HTR2A (0.43) ALDH1A1GAAHTR2AHRH1
SCHEMBL19216051 0.71 PDPK1 (0.50) PDPK1ACHE
SCHEMBL2817604 0.71 ALDH1A1 (0.38) ALDH1A1MAPTHPGDALOX12TDP1
SCHEMBL8349110 0.70 PDPK1 (0.55) HTR2APDPK1ACHEHRH1
SCHEMBL6820708 0.69 SLC6A2 (0.35) ALDH1A1MAPTHPGDALOX12TDP1
Hydrochloric Acid SCHEMBL7334906 0.69 HTR2A (0.42) ALDH1A1MAPTHPGDALOX12TDP1
SCHEMBL20706323 0.68 IDO1 (0.49) ALDH1A1LMNAPDPK1
SCHEMBL14093085 0.67 MEN1 (0.51) ALDH1A1MAPTHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914724-B2 C-aryl glycosid derivatives, pharmaceutical composition, preparation process and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-03-13 US disclosed
US-9914724-B2 C-aryl glycosid derivatives, pharmaceutical composition, preparation process and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-03-13 US disclosed
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) 2017-02-09 US disclosed
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) 2017-02-09 US disclosed
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US disclosed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 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 (2 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-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SLC5A2, SLC5A1, MGAT1 ALDH1A1 424/4885MAPT 1277/4885HPGD 2004/4885
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC3 ALDH1A1 739/4885MAPT 1169/4885HPGD 2051/4885

“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.