SCHEMBL7439013

SCHEMBL7439013

CCCC(CSC(C)=O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.61
CHRM1 P11229 1/20 0.60
AKR1A1 P14550 1/20 0.60
CHRM3 P20309 1/20 0.60
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
ADRA1A P35348 1/20 0.60
HRH1 P35367 1/20 0.60
DRD3 P35462 1/20 0.60
SLC6A3 Q01959 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
SLC1A2 P43004 4/20 0.47
SLC1A1 P43005 4/20 0.47
SLC1A3 P43003 3/20 0.47
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 2/20 0.47
CA2 P00918 1/20 0.42
MAPK1 P28482 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
SCHEMBL6470772 0.88 CPB2 (0.67) CPB2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL6470771 0.88 CPB2 (0.67) CPB2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL7474785 0.85 CPB2 (0.73) CPB2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL6351551 0.84 CPB2 (0.60) CPB2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL6469867 0.83 CPB2 (0.55) CPB2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL6469865 0.83 CPB2 (0.55) CPB2CHRM1AKR1A1CHRM3HTR2A
Hydrochloric Acid SCHEMBL10549891 0.82 CPB2 (0.58) CPB2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL16062431 0.82 HDAC1 (0.64) CPB2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL16062430 0.82 HDAC1 (0.64) CPB2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL9814843 0.82 CPB2 (0.59) CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180208584-A1 1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS SABILA BIOSCIENCES LLC (US) 2018-07-26 US disclosed
EP-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed
EP-0361365-A1 Aminobenzoic and aminocyclohexane-carboylic acid compounds, compositions, and their method of use E.R. SQUIBB & SONS, INC. (US) 1990-04-04 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-20180208584-A1 1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS EGFR, BRCA1, PTPRJ CPB2 1863/4885CHRM1 4375/4885AKR1A1 608/4885

“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.