SCHEMBL7032255

SCHEMBL7032255

CC(C)OC(=O)CSCC(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
LMNA P02545 4/20 0.36
APEX1 P27695 1/20 0.36
PRNP P04156 2/20 0.34
ALDH1A1 P00352 5/20 0.33
GABRR1 P24046 2/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL7460510 0.85 LMNA (0.36) TSHRLMNAPRNPALDH1A1HPGD
SCHEMBL14842743 0.82 APEX1 (0.36) TSHRAPEX1PRNPGABRR1CYP1A2
SCHEMBL7029341 0.81 TSHR (0.36) TSHRLMNAPRNPALDH1A1HPGD
SCHEMBL7031752 0.81 LMNA (0.34) TSHRLMNAPRNPALDH1A1HPGD
SCHEMBL14353167 0.81 LMNA (0.45) TSHRLMNAPRNPALDH1A1HPGD
SCHEMBL7030753 0.80 LMNA (0.37) TSHRLMNAPRNPALDH1A1HPGD
SCHEMBL12055920 0.79 CYP1A2 (0.47) LMNAAPEX1PRNPALDH1A1HPGD
SCHEMBL15490645 0.78 CYP1A2 (0.42) APEX1GABRR1CYP1A2MEN1KMT2A
SCHEMBL7027973 0.78 TSHR (0.33) TSHRLMNAPRNPALDH1A1HPGD
SCHEMBL17347852 0.77 CYP2D6 (0.50) APEX1GABRR1CYP1A2MAPT

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-20030162979-A1 Substituted sulphonylamino(thio)carbonyl compounds MULLER KLAUS-HELMUT (DE) 2003-08-28 US disclosed
US-6441195-B1 2-ALKOXYCARBONYL-3-SULPHONAMIDE, SULPHONYL ISOCYANATE OR SULPHONYL ISOTHIOCYANATE-THIOPHENES; PRE- OR POSTEMERGENCE HERBICIDES; EFFICIENCY BAYER AKTIENGESELLSCHAFT (DE) 2002-08-27 US disclosed
US-6180567-B1 REACTING 2-ALKOXYCARBONYL-BENZENESULFONAMIDE DERIVATIVE WITH 1,2,4-(1H)TRIAZOLE-5-(THI)ONE DERIVATIVE BAYER AKTIENGESELLSCHAFT (DE) 2001-01-30 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-20030162979-A1 Substituted sulphonylamino(thio)carbonyl compounds CBR3, CTH, CBR1 TSHR 820/4885LMNA 4111/4885APEX1 756/4885

“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.